5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol

C15H28N4O2 — CID 107324083

IUPAC5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NCCCCCO)nc(COCC)n1
InChIInChI=1S/C15H28N4O2/c1-3-8-16-13-11-14(17-9-6-5-7-10-20)19-15(18-13)12-21-4-2/h11,20H,3-10,12H2,1-2H3,(H2,16,17,18,19)
InChIKeyCUXMOPSECOUPFZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.41
Rot. Bonds12

About 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol

5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 107324083) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID107324083
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NCCCCCO)nc(COCC)n1
InChIInChI=1S/C15H28N4O2/c1-3-8-16-13-11-14(17-9-6-5-7-10-20)19-15(18-13)12-21-4-2/h11,20H,3-10,12H2,1-2H3,(H2,16,17,18,19)
InChIKeyCUXMOPSECOUPFZ-UHFFFAOYSA-N
XLogP2.41
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.41
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

6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 113401286
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335
3-[2-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311652
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 107324083) is 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol is CCCNc1cc(NCCCCCO)nc(COCC)n1.
What is the InChIKey of 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is CUXMOPSECOUPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-8-16-13-11-14(17-9-6-5-7-10-20)19-15(18-13)12-21-4-2/h11,20H,3-10,12H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 296.42 g/mol, XLogP of 2.41, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 107324083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).