2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H21N3O — CID 141401147

IUPAC2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(Nc2nc(OC3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C18H21N3O/c1-2-7-13(8-3-1)19-17-15-11-6-12-16(15)20-18(21-17)22-14-9-4-5-10-14/h1-3,7-8,14H,4-6,9-12H2,(H,19,20,21)
InChIKeyQXZQTZRRPPYRRI-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.03
Rot. Bonds4

About 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 141401147) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID141401147
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(Nc2nc(OC3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C18H21N3O/c1-2-7-13(8-3-1)19-17-15-11-6-12-16(15)20-18(21-17)22-14-9-4-5-10-14/h1-3,7-8,14H,4-6,9-12H2,(H,19,20,21)
InChIKeyQXZQTZRRPPYRRI-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 134116460
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672736
N,3-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine
CID 14909209
ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate
CID 149470316
2-cyclobutyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 154016990
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
2-(oxan-4-yloxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24783148
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
N-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 645556
2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 15886985
N-(4-cyclohexylphenyl)-2-[(2R)-2-methylmorpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 177318695

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 141401147) is 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(Nc2nc(OC3CCCC3)nc3c2CCC3)cc1.
What is the InChIKey of 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is QXZQTZRRPPYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-7-13(8-3-1)19-17-15-11-6-12-16(15)20-18(21-17)22-14-9-4-5-10-14/h1-3,7-8,14H,4-6,9-12H2,(H,19,20,21).
What are the key properties of 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 141401147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).