6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine

C10H15ClN4 — CID 86318064

IUPAC6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESClc1cc(NC[C@H]2CCCNC2)ncn1
InChIInChI=1S/C10H15ClN4/c11-9-4-10(15-7-14-9)13-6-8-2-1-3-12-5-8/h4,7-8,12H,1-3,5-6H2,(H,13,14,15)/t8-/m0/s1
InChIKeyRVNXAMOKXRRDSR-QMMMGPOBSA-N
MW226.71 g/mol
LogP1.54
Rot. Bonds3

About 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine

6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 86318064) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID86318064
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESClc1cc(NC[C@H]2CCCNC2)ncn1
InChIInChI=1S/C10H15ClN4/c11-9-4-10(15-7-14-9)13-6-8-2-1-3-12-5-8/h4,7-8,12H,1-3,5-6H2,(H,13,14,15)/t8-/m0/s1
InChIKeyRVNXAMOKXRRDSR-QMMMGPOBSA-N
XLogP1.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
4-chloro-6-[3-[(3S)-piperidin-3-yl]propoxy]pyrimidine
CID 97163560
4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
CID 97163561
4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 87133565
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 116971112

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine (CID 86318064) is 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine is Clc1cc(NC[C@H]2CCCNC2)ncn1.
What is the InChIKey of 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is RVNXAMOKXRRDSR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-9-4-10(15-7-14-9)13-6-8-2-1-3-12-5-8/h4,7-8,12H,1-3,5-6H2,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine?
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 86318064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).