4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine

C11H13N5OS — CID 114053149

IUPAC4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(C3CC3)cs2)nc(N)n1
InChIInChI=1S/C11H13N5OS/c1-17-9-4-8(14-10(12)16-9)15-11-13-7(5-18-11)6-2-3-6/h4-6H,2-3H2,1H3,(H3,12,13,14,15,16)
InChIKeyKUCLAVHYAHJCIQ-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.14
Rot. Bonds4

About 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine

4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine (PubChem CID 114053149) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
PubChem CID114053149
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(C3CC3)cs2)nc(N)n1
InChIInChI=1S/C11H13N5OS/c1-17-9-4-8(14-10(12)16-9)15-11-13-7(5-18-11)6-2-3-6/h4-6H,2-3H2,1H3,(H3,12,13,14,15,16)
InChIKeyKUCLAVHYAHJCIQ-UHFFFAOYSA-N
XLogP2.14
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine (CID 114053149) is 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine is COc1cc(Nc2nc(C3CC3)cs2)nc(N)n1.
What is the InChIKey of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
The InChIKey is KUCLAVHYAHJCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-17-9-4-8(14-10(12)16-9)15-11-13-7(5-18-11)6-2-3-6/h4-6H,2-3H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine?
4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine has a molecular weight of 263.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114053149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).