4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine

C14H26N4 — CID 80796012

IUPAC4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)CCC(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-8-15-14-16-12(4)10-13(17-14)18(5)9-7-11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyVMBMDTDWBXGKHH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.09
Rot. Bonds7

About 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80796012) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80796012
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)CCC(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-8-15-14-16-12(4)10-13(17-14)18(5)9-7-11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyVMBMDTDWBXGKHH-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80751646
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80780270
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine (CID 80796012) is 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(C)CCC(C)C)n1.
What is the InChIKey of 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VMBMDTDWBXGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-8-15-14-16-12(4)10-13(17-14)18(5)9-7-11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80796012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).