4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine

C16H30N4 — CID 80954589

IUPAC4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCC(C)C)nc(CCC)n1
InChIInChI=1S/C16H30N4/c1-6-8-14-18-15(17-10-7-2)12-16(19-14)20(5)11-9-13(3)4/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyQEDNPDSGHOKCFW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.73
Rot. Bonds9

About 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80954589) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80954589
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCC(C)C)nc(CCC)n1
InChIInChI=1S/C16H30N4/c1-6-8-14-18-15(17-10-7-2)12-16(19-14)20(5)11-9-13(3)4/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyQEDNPDSGHOKCFW-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80955556
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80954589) is 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(N(C)CCC(C)C)nc(CCC)n1.
What is the InChIKey of 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is QEDNPDSGHOKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-8-14-18-15(17-10-7-2)12-16(19-14)20(5)11-9-13(3)4/h12-13H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).