2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine

C24H40N6S — CID 143945495

IUPAC2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine
SMILESC/C=N/CC.CCC(C)CCNc1nc(NCC2CCC2)nc(C)c1-c1ncc(C)s1
InChIInChI=1S/C20H31N5S.C4H9N/c1-5-13(2)9-10-21-18-17(19-22-11-14(3)26-19)15(4)24-20(25-18)23-12-16-7-6-8-16;1-3-5-4-2/h11,13,16H,5-10,12H2,1-4H3,(H2,21,23,24,25);3H,4H2,1-2H3/b;5-3+
InChIKeyWAIDKJOQIZUBSF-GWDXERMASA-N
MW444.69 g/mol
LogP6.37
Rot. Bonds10

About 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine

2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine (PubChem CID 143945495) has the molecular formula C24H40N6S and a molecular weight of 444.69 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine
PubChem CID143945495
Molecular FormulaC24H40N6S
Molecular Weight444.69 g/mol
Exact Mass444.30
IUPAC Name2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine
SMILESC/C=N/CC.CCC(C)CCNc1nc(NCC2CCC2)nc(C)c1-c1ncc(C)s1
InChIInChI=1S/C20H31N5S.C4H9N/c1-5-13(2)9-10-21-18-17(19-22-11-14(3)26-19)15(4)24-20(25-18)23-12-16-7-6-8-16;1-3-5-4-2/h11,13,16H,5-10,12H2,1-4H3,(H2,21,23,24,25);3H,4H2,1-2H3/b;5-3+
InChIKeyWAIDKJOQIZUBSF-GWDXERMASA-N
XLogP6.37
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N-(cyclopropylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidine-2,4-diamine
CID 143945395
N-(cyclobutylmethyl)-5-methyl-1,3-thiazol-2-amine
CID 130741895
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046233
N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115907724
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
1-(cyclooctylmethyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523323
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine?
The IUPAC name of 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine (CID 143945495) is 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine is C/C=N/CC.CCC(C)CCNc1nc(NCC2CCC2)nc(C)c1-c1ncc(C)s1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine?
The InChIKey is WAIDKJOQIZUBSF-GWDXERMASA-N. The full InChI is InChI=1S/C20H31N5S.C4H9N/c1-5-13(2)9-10-21-18-17(19-22-11-14(3)26-19)15(4)24-20(25-18)23-12-16-7-6-8-16;1-3-5-4-2/h11,13,16H,5-10,12H2,1-4H3,(H2,21,23,24,25);3H,4H2,1-2H3/b;5-3+.
What are the key properties of 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine?
2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine has a molecular weight of 444.69 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;N-ethylethanimine is sourced from PubChem (CID 143945495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).