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

C14H25N5 — CID 115264462

IUPAC4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
SMILESCNCC(C)(C)Nc1cc(N(C)C2CCC2)ncn1
InChIInChI=1S/C14H25N5/c1-14(2,9-15-3)18-12-8-13(17-10-16-12)19(4)11-6-5-7-11/h8,10-11,15H,5-7,9H2,1-4H3,(H,16,17,18)
InChIKeyZXMLZMAYEMJQNM-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.88
Rot. Bonds6

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

4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine (PubChem CID 115264462) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
PubChem CID115264462
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
SMILESCNCC(C)(C)Nc1cc(N(C)C2CCC2)ncn1
InChIInChI=1S/C14H25N5/c1-14(2,9-15-3)18-12-8-13(17-10-16-12)19(4)11-6-5-7-11/h8,10-11,15H,5-7,9H2,1-4H3,(H,16,17,18)
InChIKeyZXMLZMAYEMJQNM-UHFFFAOYSA-N
XLogP1.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
CID 115264458
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80832211
6-N-cyclobutyl-2-methyl-4-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
CID 115266593
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115263882

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine (CID 115264462) is 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine is CNCC(C)(C)Nc1cc(N(C)C2CCC2)ncn1.
What is the InChIKey of 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine?
The InChIKey is ZXMLZMAYEMJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,9-15-3)18-12-8-13(17-10-16-12)19(4)11-6-5-7-11/h8,10-11,15H,5-7,9H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine?
4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115264462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).