(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine

C18H29FN4 — CID 129344271

IUPAC(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine
SMILESCC(C)=CCC[C@@H](C)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1
InChIInChI=1S/C18H29FN4/c1-14(2)5-4-6-15(3)22-10-18-7-17(19)12-23(18)11-16-8-20-13-21-9-16/h5,8-9,13,15,17-18,22H,4,6-7,10-12H2,1-3H3/t15-,17+,18+/m1/s1
InChIKeyYXZWEESOOWUIFP-NJAFHUGGSA-N
MW320.46 g/mol
LogP3.11
Rot. Bonds8

About (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine

(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine (PubChem CID 129344271) has the molecular formula C18H29FN4 and a molecular weight of 320.46 g/mol. Its IUPAC name is (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine.

Molecular Properties

Compound Name(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine
PubChem CID129344271
Molecular FormulaC18H29FN4
Molecular Weight320.46 g/mol
Exact Mass320.24
IUPAC Name(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine
SMILESCC(C)=CCC[C@@H](C)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1
InChIInChI=1S/C18H29FN4/c1-14(2)5-4-6-15(3)22-10-18-7-17(19)12-23(18)11-16-8-20-13-21-9-16/h5,8-9,13,15,17-18,22H,4,6-7,10-12H2,1-3H3/t15-,17+,18+/m1/s1
InChIKeyYXZWEESOOWUIFP-NJAFHUGGSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylthiophene-3-carboxamide
CID 128994040
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128972810
(2S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129338589
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 128993556
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 128972642
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-3-(oxolan-3-ylmethyl)urea
CID 128993953
(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 129343227
1-ethyl-3-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methylamino]pyrazin-2-one
CID 128994551
4-fluoro-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128972423
1-N'-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-1-N,1-N'-dimethylcyclopropane-1,1-dicarboxamide
CID 128972353
(1S)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 129337522
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128990917

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine?
The IUPAC name of (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine (CID 129344271) is (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine.
What is the SMILES notation for (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine?
The canonical SMILES for (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine is CC(C)=CCC[C@@H](C)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1.
What is the InChIKey of (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine?
The InChIKey is YXZWEESOOWUIFP-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H29FN4/c1-14(2)5-4-6-15(3)22-10-18-7-17(19)12-23(18)11-16-8-20-13-21-9-16/h5,8-9,13,15,17-18,22H,4,6-7,10-12H2,1-3H3/t15-,17+,18+/m1/s1.
What are the key properties of (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine?
(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine has a molecular weight of 320.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-6-methylhept-5-en-2-amine is sourced from PubChem (CID 129344271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).