2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

C14H19N5S — CID 80957330

IUPAC2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2nc(C)cs2)nc(C2CC2)n1
InChIInChI=1S/C14H19N5S/c1-9-8-20-13(17-9)5-6-16-12-7-11(15-2)18-14(19-12)10-3-4-10/h7-8,10H,3-6H2,1-2H3,(H2,15,16,18,19)
InChIKeyJZWWFJZVCHTASQ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.82
Rot. Bonds6

About 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80957330) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80957330
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2nc(C)cs2)nc(C2CC2)n1
InChIInChI=1S/C14H19N5S/c1-9-8-20-13(17-9)5-6-16-12-7-11(15-2)18-14(19-12)10-3-4-10/h7-8,10H,3-6H2,1-2H3,(H2,15,16,18,19)
InChIKeyJZWWFJZVCHTASQ-UHFFFAOYSA-N
XLogP2.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
2-cyclopropyl-5-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80984275
2-cyclopropyl-6-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958956
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80966249
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80547131
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80957330) is 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CNc1cc(NCCc2nc(C)cs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is JZWWFJZVCHTASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-9-8-20-13(17-9)5-6-16-12-7-11(15-2)18-14(19-12)10-3-4-10/h7-8,10H,3-6H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 289.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80957330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).