[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol

C16H29N5O — CID 72912546

IUPAC[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol
SMILESCCc1c(C)nc(N)nc1NCCCN1CCCC(CO)C1
InChIInChI=1S/C16H29N5O/c1-3-14-12(2)19-16(17)20-15(14)18-7-5-9-21-8-4-6-13(10-21)11-22/h13,22H,3-11H2,1-2H3,(H3,17,18,19,20)
InChIKeyHUWLDUHYVBLKKU-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.44
Rot. Bonds7

About [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol

[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol (PubChem CID 72912546) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol
PubChem CID72912546
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol
SMILESCCc1c(C)nc(N)nc1NCCCN1CCCC(CO)C1
InChIInChI=1S/C16H29N5O/c1-3-14-12(2)19-16(17)20-15(14)18-7-5-9-21-8-4-6-13(10-21)11-22/h13,22H,3-11H2,1-2H3,(H3,17,18,19,20)
InChIKeyHUWLDUHYVBLKKU-UHFFFAOYSA-N
XLogP1.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 86285413
1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 72913557
(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 97143743
2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131922825
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131951666
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
CID 171359901
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol (CID 72912546) is [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol is CCc1c(C)nc(N)nc1NCCCN1CCCC(CO)C1.
What is the InChIKey of [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol?
The InChIKey is HUWLDUHYVBLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-3-14-12(2)19-16(17)20-15(14)18-7-5-9-21-8-4-6-13(10-21)11-22/h13,22H,3-11H2,1-2H3,(H3,17,18,19,20).
What are the key properties of [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol?
[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol has a molecular weight of 307.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72912546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).