2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride

C15H21Cl2N7O — CID 171687270

IUPAC2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCC(c2ccnc(Nc3ncccn3)n2)CC1
InChIInChI=1S/C15H19N7O.2ClH/c16-10-13(23)22-8-3-11(4-9-22)12-2-7-19-15(20-12)21-14-17-5-1-6-18-14;;/h1-2,5-7,11H,3-4,8-10,16H2,(H,17,18,19,20,21);2*1H
InChIKeyPUPYSFIXIAEWPS-UHFFFAOYSA-N
MW386.29 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride

2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 171687270) has the molecular formula C15H21Cl2N7O and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
PubChem CID171687270
Molecular FormulaC15H21Cl2N7O
Molecular Weight386.29 g/mol
Exact Mass385.12
IUPAC Name2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCC(c2ccnc(Nc3ncccn3)n2)CC1
InChIInChI=1S/C15H19N7O.2ClH/c16-10-13(23)22-8-3-11(4-9-22)12-2-7-19-15(20-12)21-14-17-5-1-6-18-14;;/h1-2,5-7,11H,3-4,8-10,16H2,(H,17,18,19,20,21);2*1H
InChIKeyPUPYSFIXIAEWPS-UHFFFAOYSA-N
XLogP1.52
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride with MolForge

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Related Compounds

2-cyclopentyl-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252138
2-cyclopentyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 125001841
3-phenyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125017259
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842808
3-(4-methoxyphenyl)-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 127252127
2-(methylamino)-1-[4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110095876
3-(4-fluorophenyl)-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95838020
2-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837849
2-phenoxy-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252112
3-phenyl-1-[(3R)-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124947397
2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride (CID 171687270) is 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride is Cl.Cl.NCC(=O)N1CCC(c2ccnc(Nc3ncccn3)n2)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is PUPYSFIXIAEWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O.2ClH/c16-10-13(23)22-8-3-11(4-9-22)12-2-7-19-15(20-12)21-14-17-5-1-6-18-14;;/h1-2,5-7,11H,3-4,8-10,16H2,(H,17,18,19,20,21);2*1H.
What are the key properties of 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 386.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 171687270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).