5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol

C12H22N4O — CID 107207483

IUPAC5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
SMILESCCNc1cc(N(C)CCCCCO)ncn1
InChIInChI=1S/C12H22N4O/c1-3-13-11-9-12(15-10-14-11)16(2)7-5-4-6-8-17/h9-10,17H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyRETMDOIDLHMEAK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds8

About 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol

5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol (PubChem CID 107207483) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
PubChem CID107207483
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
SMILESCCNc1cc(N(C)CCCCCO)ncn1
InChIInChI=1S/C12H22N4O/c1-3-13-11-9-12(15-10-14-11)16(2)7-5-4-6-8-17/h9-10,17H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyRETMDOIDLHMEAK-UHFFFAOYSA-N
XLogP1.51
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol
CID 107207562
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810507
3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811502
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115265721
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol (CID 107207483) is 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol is CCNc1cc(N(C)CCCCCO)ncn1.
What is the InChIKey of 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol?
The InChIKey is RETMDOIDLHMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-11-9-12(15-10-14-11)16(2)7-5-4-6-8-17/h9-10,17H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol?
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107207483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).