4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine

C9H13ClN4 — CID 71640268

IUPAC4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
SMILESClc1ccnc(N[C@@H]2CCCNC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-3-5-12-9(14-8)13-7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2,(H,12,13,14)/t7-/m1/s1
InChIKeyMIVBSAWEFQJYRD-SSDOTTSWSA-N
MW212.68 g/mol
LogP1.29
Rot. Bonds2

About 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine

4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 71640268) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID71640268
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
SMILESClc1ccnc(N[C@@H]2CCCNC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-3-5-12-9(14-8)13-7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2,(H,12,13,14)/t7-/m1/s1
InChIKeyMIVBSAWEFQJYRD-SSDOTTSWSA-N
XLogP1.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
6-chloro-N-piperidin-3-ylpyridin-2-amine
CID 71564691
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 71643313
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
CID 71643312
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N-piperidin-3-ylpyridin-2-amine
CID 63321128

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine (CID 71640268) is 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine is Clc1ccnc(N[C@@H]2CCCNC2)n1.
What is the InChIKey of 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is MIVBSAWEFQJYRD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-3-5-12-9(14-8)13-7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2,(H,12,13,14)/t7-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71640268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).