2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C13H17N5S — CID 80982901

IUPAC2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)Cc1cscn1
InChIInChI=1S/C13H17N5S/c1-8-11(14)16-12(9-3-4-9)17-13(8)18(2)5-10-6-19-7-15-10/h6-7,9H,3-5H2,1-2H3,(H2,14,16,17)
InChIKeyCBVPMCMDEPJDBY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.34
Rot. Bonds4

About 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80982901) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80982901
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)Cc1cscn1
InChIInChI=1S/C13H17N5S/c1-8-11(14)16-12(9-3-4-9)17-13(8)18(2)5-10-6-19-7-15-10/h6-7,9H,3-5H2,1-2H3,(H2,14,16,17)
InChIKeyCBVPMCMDEPJDBY-UHFFFAOYSA-N
XLogP2.34
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 80982901) is 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1N(C)Cc1cscn1.
What is the InChIKey of 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CBVPMCMDEPJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-11(14)16-12(9-3-4-9)17-13(8)18(2)5-10-6-19-7-15-10/h6-7,9H,3-5H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80982901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).