6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine

C14H27N5 — CID 115264024

IUPAC6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCN(C)c1cc(NCC(C)CN)ncn1
InChIInChI=1S/C14H27N5/c1-11(2)5-6-19(4)14-7-13(17-10-18-14)16-9-12(3)8-15/h7,10-12H,5-6,8-9,15H2,1-4H3,(H,16,17,18)
InChIKeyGSGFDWCXHXIQJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.97
Rot. Bonds8

About 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine

6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 115264024) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID115264024
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCN(C)c1cc(NCC(C)CN)ncn1
InChIInChI=1S/C14H27N5/c1-11(2)5-6-19(4)14-7-13(17-10-18-14)16-9-12(3)8-15/h7,10-12H,5-6,8-9,15H2,1-4H3,(H,16,17,18)
InChIKeyGSGFDWCXHXIQJN-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-methyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871767
6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115266433
3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811502
4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265860
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451
4-N-(1-aminopropan-2-yl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine
CID 115265922
2-methyl-3-[[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264363
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 115264024) is 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine is CC(C)CCN(C)c1cc(NCC(C)CN)ncn1.
What is the InChIKey of 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is GSGFDWCXHXIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11(2)5-6-19(4)14-7-13(17-10-18-14)16-9-12(3)8-15/h7,10-12H,5-6,8-9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine?
6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115264024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).