2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

C16H21N5O2 — CID 171359551

IUPAC2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCO[C@H](c1nc(-c2cnc(C3CCCC3)nc2N)no1)C1CC1
InChIInChI=1S/C16H21N5O2/c1-22-12(9-6-7-9)16-20-15(21-23-16)11-8-18-14(19-13(11)17)10-4-2-3-5-10/h8-10,12H,2-7H2,1H3,(H2,17,18,19)/t12-/m0/s1
InChIKeyZPWRJMATBQTUEF-LBPRGKRZSA-N
MW315.38 g/mol
LogP2.86
Rot. Bonds5

About 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (PubChem CID 171359551) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
PubChem CID171359551
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCO[C@H](c1nc(-c2cnc(C3CCCC3)nc2N)no1)C1CC1
InChIInChI=1S/C16H21N5O2/c1-22-12(9-6-7-9)16-20-15(21-23-16)11-8-18-14(19-13(11)17)10-4-2-3-5-10/h8-10,12H,2-7H2,1H3,(H2,17,18,19)/t12-/m0/s1
InChIKeyZPWRJMATBQTUEF-LBPRGKRZSA-N
XLogP2.86
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (CID 171359551) is 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is CO[C@H](c1nc(-c2cnc(C3CCCC3)nc2N)no1)C1CC1.
What is the InChIKey of 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The InChIKey is ZPWRJMATBQTUEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-22-12(9-6-7-9)16-20-15(21-23-16)11-8-18-14(19-13(11)17)10-4-2-3-5-10/h8-10,12H,2-7H2,1H3,(H2,17,18,19)/t12-/m0/s1.
What are the key properties of 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[5-[(S)-cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171359551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).