4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine

C13H25N5 — CID 115264458

IUPAC4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1cc(NC(C)(C)CNC)ncn1
InChIInChI=1S/C13H25N5/c1-6-7-18(5)12-8-11(15-10-16-12)17-13(2,3)9-14-4/h8,10,14H,6-7,9H2,1-5H3,(H,15,16,17)
InChIKeyAXBKPOKQHQRXSK-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.73
Rot. Bonds7

About 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine

4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine (PubChem CID 115264458) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
PubChem CID115264458
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1cc(NC(C)(C)CNC)ncn1
InChIInChI=1S/C13H25N5/c1-6-7-18(5)12-8-11(15-10-16-12)17-13(2,3)9-14-4/h8,10,14H,6-7,9H2,1-5H3,(H,15,16,17)
InChIKeyAXBKPOKQHQRXSK-UHFFFAOYSA-N
XLogP1.73
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
CID 115264462
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115263882
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
CID 115264217
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265860
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
CID 115265039
4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265595

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine (CID 115264458) is 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine is CCCN(C)c1cc(NC(C)(C)CNC)ncn1.
What is the InChIKey of 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is AXBKPOKQHQRXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-6-7-18(5)12-8-11(15-10-16-12)17-13(2,3)9-14-4/h8,10,14H,6-7,9H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine?
4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 115264458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).