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

C13H19N3O — CID 113233517

IUPACN-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1nc2c(c(NCCOCC3CC3)n1)CCC2
InChIInChI=1S/C13H19N3O/c1-2-11-12(3-1)15-9-16-13(11)14-6-7-17-8-10-4-5-10/h9-10H,1-8H2,(H,14,15,16)
InChIKeyBCPKSJTZLSXUTR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds6

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

N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 113233517) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID113233517
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1nc2c(c(NCCOCC3CC3)n1)CCC2
InChIInChI=1S/C13H19N3O/c1-2-11-12(3-1)15-9-16-13(11)14-6-7-17-8-10-4-5-10/h9-10H,1-8H2,(H,14,15,16)
InChIKeyBCPKSJTZLSXUTR-UHFFFAOYSA-N
XLogP1.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460
N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63870196
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83030077
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 113233517) is N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1nc2c(c(NCCOCC3CC3)n1)CCC2.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BCPKSJTZLSXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-12(3-1)15-9-16-13(11)14-6-7-17-8-10-4-5-10/h9-10H,1-8H2,(H,14,15,16).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 113233517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).