4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile

C16H24N6 — CID 171359816

IUPAC4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC[C@H]2CCCN(C3CCCC3)C2)nc1N
InChIInChI=1S/C16H24N6/c17-8-13-10-20-16(21-15(13)18)19-9-12-4-3-7-22(11-12)14-5-1-2-6-14/h10,12,14H,1-7,9,11H2,(H3,18,19,20,21)/t12-/m1/s1
InChIKeyATJWTPKPGPXJJF-GFCCVEGCSA-N
MW300.41 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile

4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 171359816) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile
PubChem CID171359816
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC[C@H]2CCCN(C3CCCC3)C2)nc1N
InChIInChI=1S/C16H24N6/c17-8-13-10-20-16(21-15(13)18)19-9-12-4-3-7-22(11-12)14-5-1-2-6-14/h10,12,14H,1-7,9,11H2,(H3,18,19,20,21)/t12-/m1/s1
InChIKeyATJWTPKPGPXJJF-GFCCVEGCSA-N
XLogP2.00
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-cyclohexylamino-5-pyrimidinecarbonitrile
CID 4163635
2,11,14-Triazabicyclo(8.3.1)tetradeca-1(14),10,12-triene-13-carbonitrile
CID 317301
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
4-Amino-2-(piperidin-1-yl)pyrimidine-5-carbonitrile
CID 2794592
2-(Piperidin-4-yl)pyrimidine-5-carbonitrile dihydrochloride
CID 155821054
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97115379
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
CID 97194897
5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
CID 97195992
4-Amino-2-{[1-(piperidin-1-ylmethyl)cyclopropyl]amino}pyrimidine-5-carbonitrile formate
CID 124213666
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile (CID 171359816) is 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(NC[C@H]2CCCN(C3CCCC3)C2)nc1N.
What is the InChIKey of 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is ATJWTPKPGPXJJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6/c17-8-13-10-20-16(21-15(13)18)19-9-12-4-3-7-22(11-12)14-5-1-2-6-14/h10,12,14H,1-7,9,11H2,(H3,18,19,20,21)/t12-/m1/s1.
What are the key properties of 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[(3R)-1-cyclopentylpiperidin-3-yl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 171359816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).