N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C16H21N3O — CID 102923325

IUPACN-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccc(OC)cc1C
InChIInChI=1S/C16H21N3O/c1-4-7-19-16(13-9-17-11-18-10-13)15-6-5-14(20-3)8-12(15)2/h5-6,8-11,16,19H,4,7H2,1-3H3
InChIKeyGRMLWVPISDKKIV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.88
Rot. Bonds6

About N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 102923325) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID102923325
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccc(OC)cc1C
InChIInChI=1S/C16H21N3O/c1-4-7-19-16(13-9-17-11-18-10-13)15-6-5-14(20-3)8-12(15)2/h5-6,8-11,16,19H,4,7H2,1-3H3
InChIKeyGRMLWVPISDKKIV-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine 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

N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(5-iodothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 79693925
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 65313561
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105118919
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79809112
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 102923325) is N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1ccc(OC)cc1C.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is GRMLWVPISDKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-7-19-16(13-9-17-11-18-10-13)15-6-5-14(20-3)8-12(15)2/h5-6,8-11,16,19H,4,7H2,1-3H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 102923325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).