6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine

C13H20ClN3S — CID 80978762

IUPAC6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CCCS2)n1
InChIInChI=1S/C13H20ClN3S/c1-3-5-11-16-12(14)9(2)13(17-11)15-8-10-6-4-7-18-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyUMFNZGHFTNVHHN-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.70
Rot. Bonds5

About 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine

6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80978762) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID80978762
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CCCS2)n1
InChIInChI=1S/C13H20ClN3S/c1-3-5-11-16-12(14)9(2)13(17-11)15-8-10-6-4-7-18-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyUMFNZGHFTNVHHN-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 81007299
6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991755
6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80970244
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80950697
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991756
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine (CID 80978762) is 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCC2CCCS2)n1.
What is the InChIKey of 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UMFNZGHFTNVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-3-5-11-16-12(14)9(2)13(17-11)15-8-10-6-4-7-18-10/h10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 285.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80978762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).