4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C18H26N8O2 — CID 138495212

IUPAC4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCC(CCNc2nc(Nc3cnn(C)c3)ncc2C(N)=O)CC1
InChIInChI=1S/C18H26N8O2/c1-12(27)26-7-4-13(5-8-26)3-6-20-17-15(16(19)28)10-21-18(24-17)23-14-9-22-25(2)11-14/h9-11,13H,3-8H2,1-2H3,(H2,19,28)(H2,20,21,23,24)
InChIKeyKZHJRGKLTARLAR-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.11
Rot. Bonds7

About 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 138495212) has the molecular formula C18H26N8O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID138495212
Molecular FormulaC18H26N8O2
Molecular Weight386.46 g/mol
Exact Mass386.22
IUPAC Name4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCC(CCNc2nc(Nc3cnn(C)c3)ncc2C(N)=O)CC1
InChIInChI=1S/C18H26N8O2/c1-12(27)26-7-4-13(5-8-26)3-6-20-17-15(16(19)28)10-21-18(24-17)23-14-9-22-25(2)11-14/h9-11,13H,3-8H2,1-2H3,(H2,19,28)(H2,20,21,23,24)
InChIKeyKZHJRGKLTARLAR-UHFFFAOYSA-N
XLogP1.11
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 138495212) is 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CC(=O)N1CCC(CCNc2nc(Nc3cnn(C)c3)ncc2C(N)=O)CC1.
What is the InChIKey of 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KZHJRGKLTARLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O2/c1-12(27)26-7-4-13(5-8-26)3-6-20-17-15(16(19)28)10-21-18(24-17)23-14-9-22-25(2)11-14/h9-11,13H,3-8H2,1-2H3,(H2,19,28)(H2,20,21,23,24).
What are the key properties of 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-acetylpiperidin-4-yl)ethylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 138495212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).