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

C11H16N6S — CID 72891996

IUPAC4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCc2csc(N(C)C)n2)n1
InChIInChI=1S/C11H16N6S/c1-7-14-9(12)4-10(15-7)13-5-8-6-18-11(16-8)17(2)3/h4,6H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyUJAFXTRXMYHTAE-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.50
Rot. Bonds4

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

4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 72891996) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID72891996
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCc2csc(N(C)C)n2)n1
InChIInChI=1S/C11H16N6S/c1-7-14-9(12)4-10(15-7)13-5-8-6-18-11(16-8)17(2)3/h4,6H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyUJAFXTRXMYHTAE-UHFFFAOYSA-N
XLogP1.50
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80971601
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
6-chloro-2-cyclopropyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 80972029
2-N,4-N,4-N,6-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 53539526
6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56778107
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71850493
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72043839
N-methyl-6-[2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72044424
N-methyl-6-[2-[(1,3-thiazol-4-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72144339
N-[(2-Amino-1,3-thiazol-4-YL)methyl]-6-methyl-2-propylpyrimidin-4-amine
CID 50965012
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 75422024

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine (CID 72891996) is 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NCc2csc(N(C)C)n2)n1.
What is the InChIKey of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is UJAFXTRXMYHTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-7-14-9(12)4-10(15-7)13-5-8-6-18-11(16-8)17(2)3/h4,6H,5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine?
4-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.50, 4 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]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 72891996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).