5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine

C10H16ClN3S — CID 107765747

IUPAC5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
SMILESCCC(C)CSc1nc(NC)ncc1Cl
InChIInChI=1S/C10H16ClN3S/c1-4-7(2)6-15-9-8(11)5-13-10(12-3)14-9/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyZDSVVLWZCWYGOP-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine

5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine (PubChem CID 107765747) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
PubChem CID107765747
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
SMILESCCC(C)CSc1nc(NC)ncc1Cl
InChIInChI=1S/C10H16ClN3S/c1-4-7(2)6-15-9-8(11)5-13-10(12-3)14-9/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyZDSVVLWZCWYGOP-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765701
3-[5-chloro-2-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894566
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761
5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886316
2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80847650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine (CID 107765747) is 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine is CCC(C)CSc1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine?
The InChIKey is ZDSVVLWZCWYGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-4-7(2)6-15-9-8(11)5-13-10(12-3)14-9/h5,7H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine?
5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine has a molecular weight of 245.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 107765747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).