N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C19H24N4O — CID 138038412

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CN(c2ccc(Nc3ncnc4c3CCC4)cc2)CC(C)O1
InChIInChI=1S/C19H24N4O/c1-13-10-23(11-14(2)24-13)16-8-6-15(7-9-16)22-19-17-4-3-5-18(17)20-12-21-19/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,20,21,22)
InChIKeySVGZVYDOINKGKH-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.32
Rot. Bonds3

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 138038412) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID138038412
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CN(c2ccc(Nc3ncnc4c3CCC4)cc2)CC(C)O1
InChIInChI=1S/C19H24N4O/c1-13-10-23(11-14(2)24-13)16-8-6-15(7-9-16)22-19-17-4-3-5-18(17)20-12-21-19/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,20,21,22)
InChIKeySVGZVYDOINKGKH-UHFFFAOYSA-N
XLogP3.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]methyl]pyrrolidin-2-one
CID 136523319
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
CID 99788867
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]-2-piperidin-4-ylethanone;dihydrochloride
CID 70282722
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid
CID 107793480
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
N-(4-cyclohexylphenyl)-2-[(2R)-2-methylmorpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 177318695
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
CID 118407332
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 138038412) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC1CN(c2ccc(Nc3ncnc4c3CCC4)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SVGZVYDOINKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-10-23(11-14(2)24-13)16-8-6-15(7-9-16)22-19-17-4-3-5-18(17)20-12-21-19/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 138038412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).