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

C14H21N5S — CID 80845227

IUPAC6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)c2nc(C)cs2)c1C(C)C
InChIInChI=1S/C14H21N5S/c1-8(2)11-12(15-5)16-7-17-13(11)19-10(4)14-18-9(3)6-20-14/h6-8,10H,1-5H3,(H2,15,16,17,19)
InChIKeyPSBRKPYYOJUQLD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.58
Rot. Bonds5

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

6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80845227) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80845227
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)c2nc(C)cs2)c1C(C)C
InChIInChI=1S/C14H21N5S/c1-8(2)11-12(15-5)16-7-17-13(11)19-10(4)14-18-9(3)6-20-14/h6-8,10H,1-5H3,(H2,15,16,17,19)
InChIKeyPSBRKPYYOJUQLD-UHFFFAOYSA-N
XLogP3.58
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80845227) is 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NC(C)c2nc(C)cs2)c1C(C)C.
What is the InChIKey of 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PSBRKPYYOJUQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-8(2)11-12(15-5)16-7-17-13(11)19-10(4)14-18-9(3)6-20-14/h6-8,10H,1-5H3,(H2,15,16,17,19).
What are the key properties of 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80845227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).