N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C15H24N4O — CID 63870196

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNC1CCC(OCCNc2ncnc3c2CCC3)CC1
InChIInChI=1S/C15H24N4O/c16-11-4-6-12(7-5-11)20-9-8-17-15-13-2-1-3-14(13)18-10-19-15/h10-12H,1-9,16H2,(H,17,18,19)
InChIKeyCNGMXZRCJXJYTE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63870196) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63870196
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNC1CCC(OCCNc2ncnc3c2CCC3)CC1
InChIInChI=1S/C15H24N4O/c16-11-4-6-12(7-5-11)20-9-8-17-15-13-2-1-3-14(13)18-10-19-15/h10-12H,1-9,16H2,(H,17,18,19)
InChIKeyCNGMXZRCJXJYTE-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113233517
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831496
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831874
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63870196) is N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is NC1CCC(OCCNc2ncnc3c2CCC3)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is CNGMXZRCJXJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-11-4-6-12(7-5-11)20-9-8-17-15-13-2-1-3-14(13)18-10-19-15/h10-12H,1-9,16H2,(H,17,18,19).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63870196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).