N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C16H20N4O — CID 117211444

IUPACN'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1cccc(-c2ncc(NCCN)c(C3CC3)n2)c1
InChIInChI=1S/C16H20N4O/c1-21-13-4-2-3-12(9-13)16-19-10-14(18-8-7-17)15(20-16)11-5-6-11/h2-4,9-11,18H,5-8,17H2,1H3
InChIKeyUNILNJLLHGGNLT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds6

About N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211444) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211444
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1cccc(-c2ncc(NCCN)c(C3CC3)n2)c1
InChIInChI=1S/C16H20N4O/c1-21-13-4-2-3-12(9-13)16-19-10-14(18-8-7-17)15(20-16)11-5-6-11/h2-4,9-11,18H,5-8,17H2,1H3
InChIKeyUNILNJLLHGGNLT-UHFFFAOYSA-N
XLogP2.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211527
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211775
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
CID 90058268
[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 55189800
N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212076

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211444) is N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine is COc1cccc(-c2ncc(NCCN)c(C3CC3)n2)c1.
What is the InChIKey of N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is UNILNJLLHGGNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-13-4-2-3-12(9-13)16-19-10-14(18-8-7-17)15(20-16)11-5-6-11/h2-4,9-11,18H,5-8,17H2,1H3.
What are the key properties of N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 284.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).