N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H21N3O — CID 103768418

IUPACN-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1CCC2)C1CCOCC1
InChIInChI=1S/C14H21N3O/c1-10(11-5-7-18-8-6-11)17-14-12-3-2-4-13(12)15-9-16-14/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyZWVZWSDJDDCRHS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 103768418) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID103768418
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1CCC2)C1CCOCC1
InChIInChI=1S/C14H21N3O/c1-10(11-5-7-18-8-6-11)17-14-12-3-2-4-13(12)15-9-16-14/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyZWVZWSDJDDCRHS-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
N-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831336
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pentane-1,2-diamine
CID 65193301
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114138445
1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 106738090
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 103768418) is N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(Nc1ncnc2c1CCC2)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZWVZWSDJDDCRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(11-5-7-18-8-6-11)17-14-12-3-2-4-13(12)15-9-16-14/h9-11H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 103768418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).