5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine

C10H13N3 — CID 90045633

IUPAC5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)C1=C2C(N)=NC=NC2C=C1
InChIInChI=1S/C10H13N3/c1-6(2)7-3-4-8-9(7)10(11)13-5-12-8/h3-6,8H,1-2H3,(H2,11,12,13)
InChIKeyBEPXIVRZBAPDME-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.28
Rot. Bonds1

About 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine

5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine (PubChem CID 90045633) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine
PubChem CID90045633
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)C1=C2C(N)=NC=NC2C=C1
InChIInChI=1S/C10H13N3/c1-6(2)7-3-4-8-9(7)10(11)13-5-12-8/h3-6,8H,1-2H3,(H2,11,12,13)
InChIKeyBEPXIVRZBAPDME-UHFFFAOYSA-N
XLogP1.28
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine (CID 90045633) is 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine is CC(C)C1=C2C(N)=NC=NC2C=C1.
What is the InChIKey of 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BEPXIVRZBAPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6(2)7-3-4-8-9(7)10(11)13-5-12-8/h3-6,8H,1-2H3,(H2,11,12,13).
What are the key properties of 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine?
5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 175.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7aH-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 90045633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).