6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

C11H16ClN3S — CID 80612105

IUPAC6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC2CCCCS2)n1
InChIInChI=1S/C11H16ClN3S/c1-8-14-10(12)6-11(15-8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyUGOMJBXMCQJDCU-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.14
Rot. Bonds3

About 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80612105) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
PubChem CID80612105
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC2CCCCS2)n1
InChIInChI=1S/C11H16ClN3S/c1-8-14-10(12)6-11(15-8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyUGOMJBXMCQJDCU-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80951538
6-chloro-2-N-(thiolan-2-ylmethyl)pyridine-2,4-diamine
CID 104924760
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851915
4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577137
2,6-dichloro-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80600468
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
2,6-dichloro-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 106890621

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine (CID 80612105) is 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCC2CCCCS2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UGOMJBXMCQJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-8-14-10(12)6-11(15-8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 257.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80612105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).