6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine

C20H30N6O2 — CID 129474578

IUPAC6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
SMILESCc1noc(C2CCN(c3cc(N[C@H]4CCCO[C@H]4C(C)C)ncn3)CC2)n1
InChIInChI=1S/C20H30N6O2/c1-13(2)19-16(5-4-10-27-19)24-17-11-18(22-12-21-17)26-8-6-15(7-9-26)20-23-14(3)25-28-20/h11-13,15-16,19H,4-10H2,1-3H3,(H,21,22,24)/t16-,19-/m0/s1
InChIKeyFIRAHFWPESHTJB-LPHOPBHVSA-N
MW386.50 g/mol
LogP3.17
Rot. Bonds5

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

6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine (PubChem CID 129474578) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
PubChem CID129474578
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
SMILESCc1noc(C2CCN(c3cc(N[C@H]4CCCO[C@H]4C(C)C)ncn3)CC2)n1
InChIInChI=1S/C20H30N6O2/c1-13(2)19-16(5-4-10-27-19)24-17-11-18(22-12-21-17)26-8-6-15(7-9-26)20-23-14(3)25-28-20/h11-13,15-16,19H,4-10H2,1-3H3,(H,21,22,24)/t16-,19-/m0/s1
InChIKeyFIRAHFWPESHTJB-LPHOPBHVSA-N
XLogP3.17
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine (CID 129474578) is 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine is Cc1noc(C2CCN(c3cc(N[C@H]4CCCO[C@H]4C(C)C)ncn3)CC2)n1.
What is the InChIKey of 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
The InChIKey is FIRAHFWPESHTJB-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-13(2)19-16(5-4-10-27-19)24-17-11-18(22-12-21-17)26-8-6-15(7-9-26)20-23-14(3)25-28-20/h11-13,15-16,19H,4-10H2,1-3H3,(H,21,22,24)/t16-,19-/m0/s1.
What are the key properties of 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 129474578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).