4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C12H17N5S — CID 80960564

IUPAC4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ncc(CNc2cc(N)nc(C(C)C)n2)s1
InChIInChI=1S/C12H17N5S/c1-7(2)12-16-10(13)4-11(17-12)15-6-9-5-14-8(3)18-9/h4-5,7H,6H2,1-3H3,(H3,13,15,16,17)
InChIKeyPUYIHPQQHZTJRR-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.56
Rot. Bonds4

About 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80960564) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80960564
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ncc(CNc2cc(N)nc(C(C)C)n2)s1
InChIInChI=1S/C12H17N5S/c1-7(2)12-16-10(13)4-11(17-12)15-6-9-5-14-8(3)18-9/h4-5,7H,6H2,1-3H3,(H3,13,15,16,17)
InChIKeyPUYIHPQQHZTJRR-UHFFFAOYSA-N
XLogP2.56
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115925258
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967447
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957408
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80960726
2-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80934863
5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 112647291

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80960564) is 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ncc(CNc2cc(N)nc(C(C)C)n2)s1.
What is the InChIKey of 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PUYIHPQQHZTJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-7(2)12-16-10(13)4-11(17-12)15-6-9-5-14-8(3)18-9/h4-5,7H,6H2,1-3H3,(H3,13,15,16,17).
What are the key properties of 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).