N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine

C19H23N7 — CID 110097766

IUPACN-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cncc1CN1CCC(c2ccnc(Nc3ncccn3)c2)CC1
InChIInChI=1S/C19H23N7/c1-25-14-20-12-17(25)13-26-9-4-15(5-10-26)16-3-8-21-18(11-16)24-19-22-6-2-7-23-19/h2-3,6-8,11-12,14-15H,4-5,9-10,13H2,1H3,(H,21,22,23,24)
InChIKeyKYVMALYEHMSTRD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.73
Rot. Bonds5

About N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine

N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110097766) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110097766
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cncc1CN1CCC(c2ccnc(Nc3ncccn3)c2)CC1
InChIInChI=1S/C19H23N7/c1-25-14-20-12-17(25)13-26-9-4-15(5-10-26)16-3-8-21-18(11-16)24-19-22-6-2-7-23-19/h2-3,6-8,11-12,14-15H,4-5,9-10,13H2,1H3,(H,21,22,23,24)
InChIKeyKYVMALYEHMSTRD-UHFFFAOYSA-N
XLogP2.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110097766) is N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine is Cn1cncc1CN1CCC(c2ccnc(Nc3ncccn3)c2)CC1.
What is the InChIKey of N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is KYVMALYEHMSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-25-14-20-12-17(25)13-26-9-4-15(5-10-26)16-3-8-21-18(11-16)24-19-22-6-2-7-23-19/h2-3,6-8,11-12,14-15H,4-5,9-10,13H2,1H3,(H,21,22,23,24).
What are the key properties of N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110097766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).