N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine

C14H20N6O — CID 141406574

IUPACN-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1CCN(c2nccc(NCc3ncc[nH]3)n2)CC1
InChIInChI=1S/C14H20N6O/c1-21-11-3-8-20(9-4-11)14-17-5-2-12(19-14)18-10-13-15-6-7-16-13/h2,5-7,11H,3-4,8-10H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyTZDWOCQZZNNNGT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.43
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine

N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 141406574) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID141406574
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1CCN(c2nccc(NCc3ncc[nH]3)n2)CC1
InChIInChI=1S/C14H20N6O/c1-21-11-3-8-20(9-4-11)14-17-5-2-12(19-14)18-10-13-15-6-7-16-13/h2,5-7,11H,3-4,8-10H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyTZDWOCQZZNNNGT-UHFFFAOYSA-N
XLogP1.43
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine (CID 141406574) is N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine is COC1CCN(c2nccc(NCc3ncc[nH]3)n2)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is TZDWOCQZZNNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-21-11-3-8-20(9-4-11)14-17-5-2-12(19-14)18-10-13-15-6-7-16-13/h2,5-7,11H,3-4,8-10H2,1H3,(H,15,16)(H,17,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 141406574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).