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

C15H29N5 — CID 80800452

IUPAC4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C15H29N5/c1-7-8-16-15-17-12(4)9-14(19-15)18-13(11(2)3)10-20(5)6/h9,11,13H,7-8,10H2,1-6H3,(H2,16,17,18,19)
InChIKeyKYCGMUHMSVCALZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.61
Rot. Bonds8

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

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80800452) 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]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80800452
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C15H29N5/c1-7-8-16-15-17-12(4)9-14(19-15)18-13(11(2)3)10-20(5)6/h9,11,13H,7-8,10H2,1-6H3,(H2,16,17,18,19)
InChIKeyKYCGMUHMSVCALZ-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

6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
CID 80801033
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80800524
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285245
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80800452) is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NC(CN(C)C)C(C)C)n1.
What is the InChIKey of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KYCGMUHMSVCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-7-8-16-15-17-12(4)9-14(19-15)18-13(11(2)3)10-20(5)6/h9,11,13H,7-8,10H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-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]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80800452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).