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

C14H21N5S — CID 80808040

IUPAC5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2nccs2)c1C(C)C
InChIInChI=1S/C14H21N5S/c1-4-5-16-13-12(10(2)3)14(19-9-18-13)17-8-11-15-6-7-20-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyMKOCJSXJSOUCOD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.49
Rot. Bonds7

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

5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80808040) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80808040
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2nccs2)c1C(C)C
InChIInChI=1S/C14H21N5S/c1-4-5-16-13-12(10(2)3)14(19-9-18-13)17-8-11-15-6-7-20-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyMKOCJSXJSOUCOD-UHFFFAOYSA-N
XLogP3.49
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581
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
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80793516
4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792368

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine (CID 80808040) is 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NCc2nccs2)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MKOCJSXJSOUCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-5-16-13-12(10(2)3)14(19-9-18-13)17-8-11-15-6-7-20-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.49, 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-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80808040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).