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

C15H29N5 — CID 80800967

IUPAC4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(CN(C)C)C(C)C)c1C
InChIInChI=1S/C15H29N5/c1-7-8-16-14-12(4)15(18-10-17-14)19-13(11(2)3)9-20(5)6/h10-11,13H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyZSFXMTNEPHDOEY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.61
Rot. Bonds8

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

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80800967) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80800967
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(CN(C)C)C(C)C)c1C
InChIInChI=1S/C15H29N5/c1-7-8-16-14-12(4)15(18-10-17-14)19-13(11(2)3)9-20(5)6/h10-11,13H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyZSFXMTNEPHDOEY-UHFFFAOYSA-N
XLogP2.61
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
2-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949727
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
CID 80801033
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80800967) is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(CN(C)C)C(C)C)c1C.
What is the InChIKey of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZSFXMTNEPHDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-7-8-16-14-12(4)15(18-10-17-14)19-13(11(2)3)9-20(5)6/h10-11,13H,7-9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80800967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).