6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine

C12H18ClN3S — CID 55230830

IUPAC6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)C1CCSC1
InChIInChI=1S/C12H18ClN3S/c1-3-4-10-11(13)14-8-15-12(10)16(2)9-5-6-17-7-9/h8-9H,3-7H2,1-2H3
InChIKeyLTGIDFOLMYWJEF-UHFFFAOYSA-N
MW271.82 g/mol
LogP3.02
Rot. Bonds4

About 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine

6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 55230830) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID55230830
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)C1CCSC1
InChIInChI=1S/C12H18ClN3S/c1-3-4-10-11(13)14-8-15-12(10)16(2)9-5-6-17-7-9/h8-9H,3-7H2,1-2H3
InChIKeyLTGIDFOLMYWJEF-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
CID 63021682
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-5-propylpyrimidin-4-amine
CID 63729519
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110
5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 114215986
4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine
CID 43808269
6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 61277347
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 55230830) is 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1N(C)C1CCSC1.
What is the InChIKey of 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is LTGIDFOLMYWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3S/c1-3-4-10-11(13)14-8-15-12(10)16(2)9-5-6-17-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 271.82 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 55230830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).