6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine

C9H13ClN4S — CID 63021682

IUPAC6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
SMILESCN(c1ncnc(Cl)c1N)C1CCSC1
InChIInChI=1S/C9H13ClN4S/c1-14(6-2-3-15-4-6)9-7(11)8(10)12-5-13-9/h5-6H,2-4,11H2,1H3
InChIKeyNUJHCGMCYKQLAB-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.65
Rot. Bonds2

About 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine

6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine (PubChem CID 63021682) has the molecular formula C9H13ClN4S and a molecular weight of 244.75 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
PubChem CID63021682
Molecular FormulaC9H13ClN4S
Molecular Weight244.75 g/mol
Exact Mass244.05
IUPAC Name6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
SMILESCN(c1ncnc(Cl)c1N)C1CCSC1
InChIInChI=1S/C9H13ClN4S/c1-14(6-2-3-15-4-6)9-7(11)8(10)12-5-13-9/h5-6H,2-4,11H2,1H3
InChIKeyNUJHCGMCYKQLAB-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 55230830
6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
CID 142185263
2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
CID 61145624
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
5-bromo-2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 79076376
3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine
CID 104506386
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
CID 93278897
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 80783006
2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 62341679
2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62757636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine (CID 63021682) is 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine is CN(c1ncnc(Cl)c1N)C1CCSC1.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine?
The InChIKey is NUJHCGMCYKQLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4S/c1-14(6-2-3-15-4-6)9-7(11)8(10)12-5-13-9/h5-6H,2-4,11H2,1H3.
What are the key properties of 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine has a molecular weight of 244.75 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63021682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).