N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine

C15H20N4 — CID 116974445

IUPACN-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCNCCCNc1ncc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C15H20N4/c1-12-4-6-13(7-5-12)14-10-18-15(19-11-14)17-9-3-8-16-2/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyPPBYYJBZZBRCQA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine

N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine (PubChem CID 116974445) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
PubChem CID116974445
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCNCCCNc1ncc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C15H20N4/c1-12-4-6-13(7-5-12)14-10-18-15(19-11-14)17-9-3-8-16-2/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyPPBYYJBZZBRCQA-UHFFFAOYSA-N
XLogP2.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974450
N-methyl-N'-(5-pyridin-3-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974460
N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974441
N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
4-[2-(3-aminopropylamino)pyrimidin-5-yl]phenol
CID 117224175
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974208
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
4-[[5-(4-bromophenyl)pyrimidin-2-yl]amino]butanoic acid
CID 116975177
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975077
N-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116974213
[5-(4-methylphenyl)pyrimidin-2-yl]cyanamide
CID 116975457

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine (CID 116974445) is N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine is CNCCCNc1ncc(-c2ccc(C)cc2)cn1.
What is the InChIKey of N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is PPBYYJBZZBRCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-4-6-13(7-5-12)14-10-18-15(19-11-14)17-9-3-8-16-2/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine?
N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 116974445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).