2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H19N3O — CID 140567304

IUPAC2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC[C@@H](COC)c1nc(N)c2c(n1)CCC2
InChIInChI=1S/C12H19N3O/c1-3-8(7-16-2)12-14-10-6-4-5-9(10)11(13)15-12/h8H,3-7H2,1-2H3,(H2,13,14,15)/t8-/m0/s1
InChIKeyVYGKNYWWCMSRGT-QMMMGPOBSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 140567304) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID140567304
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC[C@@H](COC)c1nc(N)c2c(n1)CCC2
InChIInChI=1S/C12H19N3O/c1-3-8(7-16-2)12-14-10-6-4-5-9(10)11(13)15-12/h8H,3-7H2,1-2H3,(H2,13,14,15)/t8-/m0/s1
InChIKeyVYGKNYWWCMSRGT-QMMMGPOBSA-N
XLogP1.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 140567304) is 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC[C@@H](COC)c1nc(N)c2c(n1)CCC2.
What is the InChIKey of 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is VYGKNYWWCMSRGT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-8(7-16-2)12-14-10-6-4-5-9(10)11(13)15-12/h8H,3-7H2,1-2H3,(H2,13,14,15)/t8-/m0/s1.
What are the key properties of 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methoxybutan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 140567304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).