N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine

C17H25FN6 — CID 129007407

IUPACN-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCC(CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1
InChIInChI=1S/C17H25FN6/c1-14(4-9-24-8-3-7-22-24)21-11-16-10-15(18)12-23(16)13-17-19-5-2-6-20-17/h2-3,5-8,14-16,21H,4,9-13H2,1H3/t14?,15-,16-/m0/s1
InChIKeyYYVOHPKSYBYBEG-YVZMLIKISA-N
MW332.43 g/mol
LogP1.65
Rot. Bonds8

About N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine (PubChem CID 129007407) has the molecular formula C17H25FN6 and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
PubChem CID129007407
Molecular FormulaC17H25FN6
Molecular Weight332.43 g/mol
Exact Mass332.21
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
SMILESCC(CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1
InChIInChI=1S/C17H25FN6/c1-14(4-9-24-8-3-7-22-24)21-11-16-10-15(18)12-23(16)13-17-19-5-2-6-20-17/h2-3,5-8,14-16,21H,4,9-13H2,1H3/t14?,15-,16-/m0/s1
InChIKeyYYVOHPKSYBYBEG-YVZMLIKISA-N
XLogP1.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129475600
(2S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129338589
(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129336245
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylethanamine
CID 154753737
(2S)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 129338741
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128991000
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea
CID 129007570
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 128993650

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine (CID 129007407) is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine is CC(CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine?
The InChIKey is YYVOHPKSYBYBEG-YVZMLIKISA-N. The full InChI is InChI=1S/C17H25FN6/c1-14(4-9-24-8-3-7-22-24)21-11-16-10-15(18)12-23(16)13-17-19-5-2-6-20-17/h2-3,5-8,14-16,21H,4,9-13H2,1H3/t14?,15-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine?
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 332.43 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 129007407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).