[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C17H27N5O2 — CID 72880906

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)cn1
InChIInChI=1S/C17H27N5O2/c1-2-18-16-19-11-14(12-20-16)15(23)22-9-5-17(24,6-10-22)13-21-7-3-4-8-21/h11-12,24H,2-10,13H2,1H3,(H,18,19,20)
InChIKeyXTVLVMHWUJJNOY-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.97
Rot. Bonds5

About [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 72880906) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID72880906
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)cn1
InChIInChI=1S/C17H27N5O2/c1-2-18-16-19-11-14(12-20-16)15(23)22-9-5-17(24,6-10-22)13-21-7-3-4-8-21/h11-12,24H,2-10,13H2,1H3,(H,18,19,20)
InChIKeyXTVLVMHWUJJNOY-UHFFFAOYSA-N
XLogP0.97
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylamino)pyrimidin-5-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56898987
[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 72837169
9-[2-(ethylamino)pyrimidine-5-carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56739068
[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 72938893
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
[2-(ethylamino)pyrimidin-5-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70787566
[2-(dimethylamino)pyrimidin-5-yl]-[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 124976429
N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098129
N-[4-[(4S)-4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyazepane-1-carbonyl]-2-pyridinyl]acetamide
CID 124973054
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
(5-tert-butyl-1H-pyrazol-3-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 110109059
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 72880906) is [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is CCNc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is XTVLVMHWUJJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-18-16-19-11-14(12-20-16)15(23)22-9-5-17(24,6-10-22)13-21-7-3-4-8-21/h11-12,24H,2-10,13H2,1H3,(H,18,19,20).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 333.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72880906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).