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

C15H23N5S — CID 106041779

IUPAC6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCCc1csc(C)n1
InChIInChI=1S/C15H23N5S/c1-4-6-13-14(16-5-2)18-10-19-15(13)17-8-7-12-9-21-11(3)20-12/h9-10H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyPABQVVJQUOEWID-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.28
Rot. Bonds8

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

6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 106041779) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
PubChem CID106041779
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCCc1csc(C)n1
InChIInChI=1S/C15H23N5S/c1-4-6-13-14(16-5-2)18-10-19-15(13)17-8-7-12-9-21-11(3)20-12/h9-10H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyPABQVVJQUOEWID-UHFFFAOYSA-N
XLogP3.28
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
CID 113253638
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
3,5-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 114140629
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine (CID 106041779) is 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NCCc1csc(C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is PABQVVJQUOEWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-4-6-13-14(16-5-2)18-10-19-15(13)17-8-7-12-9-21-11(3)20-12/h9-10H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106041779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).