N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine

C20H25N7 — CID 110111426

IUPACN-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cc(C3CCN(Cc4cnc[nH]4)CC3)ccn2)n1
InChIInChI=1S/C20H25N7/c1-14-9-15(2)25-20(24-14)26-19-10-17(3-6-22-19)16-4-7-27(8-5-16)12-18-11-21-13-23-18/h3,6,9-11,13,16H,4-5,7-8,12H2,1-2H3,(H,21,23)(H,22,24,25,26)
InChIKeyQFWPKHBTGCRBOB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.33
Rot. Bonds5

About N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine

N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 110111426) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID110111426
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC NameN-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cc(C3CCN(Cc4cnc[nH]4)CC3)ccn2)n1
InChIInChI=1S/C20H25N7/c1-14-9-15(2)25-20(24-14)26-19-10-17(3-6-22-19)16-4-7-27(8-5-16)12-18-11-21-13-23-18/h3,6,9-11,13,16H,4-5,7-8,12H2,1-2H3,(H,21,23)(H,22,24,25,26)
InChIKeyQFWPKHBTGCRBOB-UHFFFAOYSA-N
XLogP3.33
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 110111426) is N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cc(C3CCN(Cc4cnc[nH]4)CC3)ccn2)n1.
What is the InChIKey of N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is QFWPKHBTGCRBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-14-9-15(2)25-20(24-14)26-19-10-17(3-6-22-19)16-4-7-27(8-5-16)12-18-11-21-13-23-18/h3,6,9-11,13,16H,4-5,7-8,12H2,1-2H3,(H,21,23)(H,22,24,25,26).
What are the key properties of N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110111426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).