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

C11H18N4S — CID 97165005

IUPAC2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCSc1nccc(NC[C@@H]2CCCNC2)n1
InChIInChI=1S/C11H18N4S/c1-16-11-13-6-4-10(15-11)14-8-9-3-2-5-12-7-9/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,13,14,15)/t9-/m1/s1
InChIKeyRVMWVZNZDFAUCY-SECBINFHSA-N
MW238.36 g/mol
LogP1.61
Rot. Bonds4

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

2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 97165005) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID97165005
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCSc1nccc(NC[C@@H]2CCCNC2)n1
InChIInChI=1S/C11H18N4S/c1-16-11-13-6-4-10(15-11)14-8-9-3-2-5-12-7-9/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,13,14,15)/t9-/m1/s1
InChIKeyRVMWVZNZDFAUCY-SECBINFHSA-N
XLogP1.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
6-chloro-2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643194
2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768393
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine
CID 86334946
N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 67325580
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine (CID 97165005) is 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine is CSc1nccc(NC[C@@H]2CCCNC2)n1.
What is the InChIKey of 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is RVMWVZNZDFAUCY-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4S/c1-16-11-13-6-4-10(15-11)14-8-9-3-2-5-12-7-9/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,13,14,15)/t9-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine?
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 238.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97165005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).