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

C11H15N5S — CID 80811752

IUPAC4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(CN(C)c2ncnc(N)c2C)cs1
InChIInChI=1S/C11H15N5S/c1-7-10(12)13-6-14-11(7)16(3)4-9-5-17-8(2)15-9/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyRAHROPGILQTMIG-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.77
Rot. Bonds3

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

4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80811752) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80811752
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(CN(C)c2ncnc(N)c2C)cs1
InChIInChI=1S/C11H15N5S/c1-7-10(12)13-6-14-11(7)16(3)4-9-5-17-8(2)15-9/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeyRAHROPGILQTMIG-UHFFFAOYSA-N
XLogP1.77
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 79916923
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982705
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
6-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 47453755
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,3-diamine
CID 63062920
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216
5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 103580161

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80811752) is 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is Cc1nc(CN(C)c2ncnc(N)c2C)cs1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is RAHROPGILQTMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-10(12)13-6-14-11(7)16(3)4-9-5-17-8(2)15-9/h5-6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 249.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80811752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).