N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C19H28N4O — CID 117086841

IUPACN-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(-c2nccc(NCCN(C(C)C)C(C)C)n2)cc1
InChIInChI=1S/C19H28N4O/c1-14(2)23(15(3)4)13-12-20-18-10-11-21-19(22-18)16-6-8-17(24-5)9-7-16/h6-11,14-15H,12-13H2,1-5H3,(H,20,21,22)
InChIKeyQWZPOCXVJSIQEW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.68
Rot. Bonds8

About N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 117086841) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID117086841
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(-c2nccc(NCCN(C(C)C)C(C)C)n2)cc1
InChIInChI=1S/C19H28N4O/c1-14(2)23(15(3)4)13-12-20-18-10-11-21-19(22-18)16-6-8-17(24-5)9-7-16/h6-11,14-15H,12-13H2,1-5H3,(H,20,21,22)
InChIKeyQWZPOCXVJSIQEW-UHFFFAOYSA-N
XLogP3.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 12857633
4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
CID 117094557
N-(6-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 63590212
N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191156
4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide
CID 117088772
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200
(2R)-2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59374463
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
N-(3H-dioxol-5-yl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 87516552

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 117086841) is N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is COc1ccc(-c2nccc(NCCN(C(C)C)C(C)C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is QWZPOCXVJSIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)23(15(3)4)13-12-20-18-10-11-21-19(22-18)16-6-8-17(24-5)9-7-16/h6-11,14-15H,12-13H2,1-5H3,(H,20,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 328.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 117086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).