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

C15H23N5S — CID 80825581

IUPAC5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2nccs2)c1C(C)C
InChIInChI=1S/C15H23N5S/c1-5-6-16-13-12(10(2)3)14(19-9-18-13)20-11(4)15-17-7-8-21-15/h7-11H,5-6H2,1-4H3,(H2,16,18,19,20)
InChIKeyKMNIQTGEECAKSU-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.05
Rot. Bonds7

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

5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80825581) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80825581
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2nccs2)c1C(C)C
InChIInChI=1S/C15H23N5S/c1-5-6-16-13-12(10(2)3)14(19-9-18-13)20-11(4)15-17-7-8-21-15/h7-11H,5-6H2,1-4H3,(H2,16,18,19,20)
InChIKeyKMNIQTGEECAKSU-UHFFFAOYSA-N
XLogP4.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845106
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328260
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845107
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80825581) is 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)c2nccs2)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is KMNIQTGEECAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-5-6-16-13-12(10(2)3)14(19-9-18-13)20-11(4)15-17-7-8-21-15/h7-11H,5-6H2,1-4H3,(H2,16,18,19,20).
What are the key properties of 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80825581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).