N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C12H15N5O — CID 91893645

IUPACN-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1noc(-c2cncnc2NC2CCCC2)n1
InChIInChI=1S/C12H15N5O/c1-8-15-12(18-17-8)10-6-13-7-14-11(10)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,14,16)
InChIKeyPNIIMOUFQHDZRV-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.19
Rot. Bonds3

About N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91893645) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91893645
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1noc(-c2cncnc2NC2CCCC2)n1
InChIInChI=1S/C12H15N5O/c1-8-15-12(18-17-8)10-6-13-7-14-11(10)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,14,16)
InChIKeyPNIIMOUFQHDZRV-UHFFFAOYSA-N
XLogP2.19
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91893645) is N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Cc1noc(-c2cncnc2NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is PNIIMOUFQHDZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-15-12(18-17-8)10-6-13-7-14-11(10)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,14,16).
What are the key properties of N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91893645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).