N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C15H20N6O — CID 126890181

IUPACN-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C15H20N6O/c1-2-12(1)21(14-3-6-16-10-17-14)13-4-7-20(8-5-13)9-15-19-18-11-22-15/h3,6,10-13H,1-2,4-5,7-9H2
InChIKeyLDNQDJZZRBNLDG-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.49
Rot. Bonds5

About N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890181) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890181
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C15H20N6O/c1-2-12(1)21(14-3-6-16-10-17-14)13-4-7-20(8-5-13)9-15-19-18-11-22-15/h3,6,10-13H,1-2,4-5,7-9H2
InChIKeyLDNQDJZZRBNLDG-UHFFFAOYSA-N
XLogP1.49
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126890181) is N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(N(C2CC2)C2CCN(Cc3nnco3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is LDNQDJZZRBNLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-12(1)21(14-3-6-16-10-17-14)13-4-7-20(8-5-13)9-15-19-18-11-22-15/h3,6,10-13H,1-2,4-5,7-9H2.
What are the key properties of N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).