4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine

C13H20N6S — CID 72842929

IUPAC4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCc2csc(N(C)C)n2)nc(N)n1
InChIInChI=1S/C13H20N6S/c1-8(2)10-5-11(18-12(14)17-10)15-6-9-7-20-13(16-9)19(3)4/h5,7-8H,6H2,1-4H3,(H3,14,15,17,18)
InChIKeyXPNCCMIEJCZFFY-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.32
Rot. Bonds5

About 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine

4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 72842929) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID72842929
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCc2csc(N(C)C)n2)nc(N)n1
InChIInChI=1S/C13H20N6S/c1-8(2)10-5-11(18-12(14)17-10)15-6-9-7-20-13(16-9)19(3)4/h5,7-8H,6H2,1-4H3,(H3,14,15,17,18)
InChIKeyXPNCCMIEJCZFFY-UHFFFAOYSA-N
XLogP2.32
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine (CID 72842929) is 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine is CC(C)c1cc(NCc2csc(N(C)C)n2)nc(N)n1.
What is the InChIKey of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is XPNCCMIEJCZFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-8(2)10-5-11(18-12(14)17-10)15-6-9-7-20-13(16-9)19(3)4/h5,7-8H,6H2,1-4H3,(H3,14,15,17,18).
What are the key properties of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 72842929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).