[1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol

C17H29N5O — CID 122566260

IUPAC[1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCc1cc(NCCN2CCC(CO)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H29N5O/c1-14-12-16(20-17(19-14)22-7-2-3-8-22)18-6-11-21-9-4-15(13-23)5-10-21/h12,15,23H,2-11,13H2,1H3,(H,18,19,20)
InChIKeyQIPNOCVRPSRLOF-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.50
Rot. Bonds6

About [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol

[1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol (PubChem CID 122566260) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol
PubChem CID122566260
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name[1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCc1cc(NCCN2CCC(CO)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H29N5O/c1-14-12-16(20-17(19-14)22-7-2-3-8-22)18-6-11-21-9-4-15(13-23)5-10-21/h12,15,23H,2-11,13H2,1H3,(H,18,19,20)
InChIKeyQIPNOCVRPSRLOF-UHFFFAOYSA-N
XLogP1.50
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

(1R*,3S*)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol
CID 70780468
(3R*,4S*)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 72865929
(1R*,3S*)-7-[4-methyl-6-(methylamino)-2-pyrimidinyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72923080
2-[4-[4-Methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95817164
1-[6-Methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271365
4-N,4-N,6-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 145984934
4-Methyl-2-(piperazin-1-yl)-6-(pyrrolidin-1-yl)pyrimidine
CID 76145075
1-(4-Amino-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 56724725
2-[4-(2-Amino-6-methyl-4-pyrimidinyl)-1-(cyclohexylmethyl)-2-piperazinyl]ethanol
CID 56900266
(3R*,4R*)-3,4-dimethyl-1-[6-methyl-2-(1-piperidinyl)-4-pyrimidinyl]-3-pyrrolidinol
CID 72881995
4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 47072382
3-{[2-(Dimethylamino)-6-methylpyrimidin-4-yl]amino}-2,2-dimethylpropan-1-ol
CID 50951453

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol (CID 122566260) is [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol is Cc1cc(NCCN2CCC(CO)CC2)nc(N2CCCC2)n1.
What is the InChIKey of [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol?
The InChIKey is QIPNOCVRPSRLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14-12-16(20-17(19-14)22-7-2-3-8-22)18-6-11-21-9-4-15(13-23)5-10-21/h12,15,23H,2-11,13H2,1H3,(H,18,19,20).
What are the key properties of [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol?
[1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol has a molecular weight of 319.45 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 122566260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).