1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine

C20H34N4O — CID 72891852

IUPAC1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine
SMILESCc1nc(C(C)C)cc(N2CCC(NCCCC3CCOC3)CC2)n1
InChIInChI=1S/C20H34N4O/c1-15(2)19-13-20(23-16(3)22-19)24-10-6-18(7-11-24)21-9-4-5-17-8-12-25-14-17/h13,15,17-18,21H,4-12,14H2,1-3H3
InChIKeyNFPWAQQUWHPSAO-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.28
Rot. Bonds7

About 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine

1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine (PubChem CID 72891852) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine
PubChem CID72891852
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine
SMILESCc1nc(C(C)C)cc(N2CCC(NCCCC3CCOC3)CC2)n1
InChIInChI=1S/C20H34N4O/c1-15(2)19-13-20(23-16(3)22-19)24-10-6-18(7-11-24)21-9-4-5-17-8-12-25-14-17/h13,15,17-18,21H,4-12,14H2,1-3H3
InChIKeyNFPWAQQUWHPSAO-UHFFFAOYSA-N
XLogP3.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine (CID 72891852) is 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine is Cc1nc(C(C)C)cc(N2CCC(NCCCC3CCOC3)CC2)n1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine?
The InChIKey is NFPWAQQUWHPSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-15(2)19-13-20(23-16(3)22-19)24-10-6-18(7-11-24)21-9-4-5-17-8-12-25-14-17/h13,15,17-18,21H,4-12,14H2,1-3H3.
What are the key properties of 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine?
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine has a molecular weight of 346.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 72891852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).