2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

C10H14ClN3S — CID 107297738

IUPAC2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCC1CCSC1
InChIInChI=1S/C10H14ClN3S/c1-7-4-13-10(11)14-9(7)12-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyMXNDJJWHLKQDGK-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.60
Rot. Bonds3

About 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 107297738) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID107297738
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCC1CCSC1
InChIInChI=1S/C10H14ClN3S/c1-7-4-13-10(11)14-9(7)12-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyMXNDJJWHLKQDGK-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298829
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
2-chloro-6-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107132202
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
CID 107296743
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
CID 107294937
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
5-chloro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115674171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (CID 107297738) is 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1NCC1CCSC1.
What is the InChIKey of 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is MXNDJJWHLKQDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-7-4-13-10(11)14-9(7)12-5-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 243.76 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 107297738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).