N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine

C15H20N4O — CID 61240730

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2cc(N)ccc2OC)ncn1
InChIInChI=1S/C15H20N4O/c1-3-4-13-8-15(19-10-18-13)17-9-11-7-12(16)5-6-14(11)20-2/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18,19)
InChIKeyDQQDYQJLRNDUEI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.63
Rot. Bonds6

About N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine

N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 61240730) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
PubChem CID61240730
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2cc(N)ccc2OC)ncn1
InChIInChI=1S/C15H20N4O/c1-3-4-13-8-15(19-10-18-13)17-9-11-7-12(16)5-6-14(11)20-2/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18,19)
InChIKeyDQQDYQJLRNDUEI-UHFFFAOYSA-N
XLogP2.63
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240335
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65275654
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409
4-N-(6-propylpyrimidin-4-yl)benzene-1,4-diamine
CID 61240712
4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265493
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine (CID 61240730) is N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine is CCCc1cc(NCc2cc(N)ccc2OC)ncn1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is DQQDYQJLRNDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-13-8-15(19-10-18-13)17-9-11-7-12(16)5-6-14(11)20-2/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61240730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).