1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol

C15H27N5O — CID 50955286

IUPAC1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCN(CC)CCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C15H27N5O/c1-3-19(4-2)11-9-17-15-16-8-7-14(18-15)20-10-5-6-13(21)12-20/h7-8,13,21H,3-6,9-12H2,1-2H3,(H,16,17,18)
InChIKeyKIKCGZRCZSKXIK-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.19
Rot. Bonds7

About 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 50955286) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID50955286
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCN(CC)CCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C15H27N5O/c1-3-19(4-2)11-9-17-15-16-8-7-14(18-15)20-10-5-6-13(21)12-20/h7-8,13,21H,3-6,9-12H2,1-2H3,(H,16,17,18)
InChIKeyKIKCGZRCZSKXIK-UHFFFAOYSA-N
XLogP1.19
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135100300
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 135117171
1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134712116
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50973711
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol (CID 50955286) is 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol is CCN(CC)CCNc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is KIKCGZRCZSKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-19(4-2)11-9-17-15-16-8-7-14(18-15)20-10-5-6-13(21)12-20/h7-8,13,21H,3-6,9-12H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 50955286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).