N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C17H24N6O2 — CID 171994608

IUPACN-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3nnc(C)o3)CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-12-20-21-17(25-12)10-22-7-5-14(6-8-22)23(13-3-4-13)15-9-16(24-2)19-11-18-15/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeyMPSAIOXFFYNEAM-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.81
Rot. Bonds6

About N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 171994608) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID171994608
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3nnc(C)o3)CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-12-20-21-17(25-12)10-22-7-5-14(6-8-22)23(13-3-4-13)15-9-16(24-2)19-11-18-15/h9,11,13-14H,3-8,10H2,1-2H3
InChIKeyMPSAIOXFFYNEAM-UHFFFAOYSA-N
XLogP1.81
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 171994608) is N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(Cc3nnc(C)o3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is MPSAIOXFFYNEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-20-21-17(25-12)10-22-7-5-14(6-8-22)23(13-3-4-13)15-9-16(24-2)19-11-18-15/h9,11,13-14H,3-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 171994608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).