3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol

C12H22N4O — CID 80771693

IUPAC3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1ncnc(NCCCO)c1C(C)C
InChIInChI=1S/C12H22N4O/c1-4-13-11-10(9(2)3)12(16-8-15-11)14-6-5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyJCNKOWPPHLLPKK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds7

About 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol

3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80771693) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
PubChem CID80771693
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1ncnc(NCCCO)c1C(C)C
InChIInChI=1S/C12H22N4O/c1-4-13-11-10(9(2)3)12(16-8-15-11)14-6-5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyJCNKOWPPHLLPKK-UHFFFAOYSA-N
XLogP1.83
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
CID 80787854
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118658
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol (CID 80771693) is 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol is CCNc1ncnc(NCCCO)c1C(C)C.
What is the InChIKey of 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is JCNKOWPPHLLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-13-11-10(9(2)3)12(16-8-15-11)14-6-5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80771693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).