N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine

C21H20N4O — CID 158609715

IUPACN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2c1C=CC2
InChIInChI=1S/C21H20N4O/c1-25(13-14-26-17-8-3-2-4-9-17)21-18-10-5-11-19(18)23-20(24-21)16-7-6-12-22-15-16/h2-10,12,15H,11,13-14H2,1H3
InChIKeyHWRIWDDPABQAKQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.62
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine

N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 158609715) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine
PubChem CID158609715
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2c1C=CC2
InChIInChI=1S/C21H20N4O/c1-25(13-14-26-17-8-3-2-4-9-17)21-18-10-5-11-19(18)23-20(24-21)16-7-6-12-22-15-16/h2-10,12,15H,11,13-14H2,1H3
InChIKeyHWRIWDDPABQAKQ-UHFFFAOYSA-N
XLogP3.62
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 137470023
8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 137469978
(2,5-dioxopyrrolidin-1-yl) 4-[4-[2-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]ethoxy]phenyl]but-3-ynoate
CID 137379665
N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine
CID 155096500
1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one
CID 159694548
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-2-(5-fluoro-3-pyridinyl)-N-methylquinazolin-4-amine
CID 142524896
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N-[(2-ethoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133319393
3-[methyl-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122059528
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
N-methyl-N-(2-phenoxyethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9113158
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine (CID 158609715) is N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine is CN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2c1C=CC2.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is HWRIWDDPABQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25(13-14-26-17-8-3-2-4-9-17)21-18-10-5-11-19(18)23-20(24-21)16-7-6-12-22-15-16/h2-10,12,15H,11,13-14H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 158609715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).