6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

C15H23N5S — CID 80942872

IUPAC6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2nccs2)nc(CCC)n1
InChIInChI=1S/C15H23N5S/c1-3-5-12-19-13(16-7-4-2)11-14(20-12)17-8-6-15-18-9-10-21-15/h9-11H,3-8H2,1-2H3,(H2,16,17,19,20)
InChIKeyBSZITOYLHWMDAJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.36
Rot. Bonds9

About 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80942872) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80942872
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2nccs2)nc(CCC)n1
InChIInChI=1S/C15H23N5S/c1-3-5-12-19-13(16-7-4-2)11-14(20-12)17-8-6-15-18-9-10-21-15/h9-11H,3-8H2,1-2H3,(H2,16,17,19,20)
InChIKeyBSZITOYLHWMDAJ-UHFFFAOYSA-N
XLogP3.36
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 63245018
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80949834

Frequently Asked Questions

What is the IUPAC name of 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80942872) is 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCCNc1cc(NCCc2nccs2)nc(CCC)n1.
What is the InChIKey of 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BSZITOYLHWMDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-5-12-19-13(16-7-4-2)11-14(20-12)17-8-6-15-18-9-10-21-15/h9-11H,3-8H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80942872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).