piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone

C15H18N6O — CID 139580345

IUPACpiperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cncnc2)nc1)N1CCCCC1
InChIInChI=1S/C15H18N6O/c22-14(21-4-2-1-3-5-21)13-9-19-15(20-10-13)18-8-12-6-16-11-17-7-12/h6-7,9-11H,1-5,8H2,(H,18,19,20)
InChIKeyZKMYKILWELCQPZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.50
Rot. Bonds4

About piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone

piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580345) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580345
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Namepiperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cncnc2)nc1)N1CCCCC1
InChIInChI=1S/C15H18N6O/c22-14(21-4-2-1-3-5-21)13-9-19-15(20-10-13)18-8-12-6-16-11-17-7-12/h6-7,9-11H,1-5,8H2,(H,18,19,20)
InChIKeyZKMYKILWELCQPZ-UHFFFAOYSA-N
XLogP1.50
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10906888, Example 190
CID 139580393
US10906888, Example 185
CID 139580415
4-(cyclopentylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488434
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(piperidin-1-yl)pyrimidine-5-carboxamide [187]
CID 87356117
US10906888, Example 68
CID 139580368
US10906888, Example 93
CID 139580398
US10906888, Example 186
CID 139580323
US10906888, Example 39
CID 139580391
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986
N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 6625249
Pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110466942

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580345) is piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cncnc2)nc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is ZKMYKILWELCQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-14(21-4-2-1-3-5-21)13-9-19-15(20-10-13)18-8-12-6-16-11-17-7-12/h6-7,9-11H,1-5,8H2,(H,18,19,20).
What are the key properties of piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).