N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine

C14H21FN4 — CID 122569805

IUPACN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C14H21FN4/c15-13-8-17-14(18-9-13)16-7-11-3-5-19(6-4-11)10-12-1-2-12/h8-9,11-12H,1-7,10H2,(H,16,17,18)
InChIKeyYLXUVOCCJTVUAT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.15
Rot. Bonds5

About N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine

N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine (PubChem CID 122569805) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
PubChem CID122569805
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C14H21FN4/c15-13-8-17-14(18-9-13)16-7-11-3-5-19(6-4-11)10-12-1-2-12/h8-9,11-12H,1-7,10H2,(H,16,17,18)
InChIKeyYLXUVOCCJTVUAT-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
CID 122151089
5-fluoro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115750149
N-[(3-aminocyclopentyl)methyl]-5-fluoropyrimidin-2-amine
CID 106126495
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97171184
[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]-[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 58635319
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
CID 114600387
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131929255
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80799247

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine (CID 122569805) is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NCC2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is YLXUVOCCJTVUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c15-13-8-17-14(18-9-13)16-7-11-3-5-19(6-4-11)10-12-1-2-12/h8-9,11-12H,1-7,10H2,(H,16,17,18).
What are the key properties of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 122569805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).