2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

C13H24N4O — CID 80810507

IUPAC2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCNc1cc(N(CCO)C(CC)CC)ncn1
InChIInChI=1S/C13H24N4O/c1-4-11(5-2)17(7-8-18)13-9-12(14-6-3)15-10-16-13/h9-11,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyVRSPJKMRTHPVSO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.90
Rot. Bonds8

About 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (PubChem CID 80810507) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
PubChem CID80810507
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCNc1cc(N(CCO)C(CC)CC)ncn1
InChIInChI=1S/C13H24N4O/c1-4-11(5-2)17(7-8-18)13-9-12(14-6-3)15-10-16-13/h9-11,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyVRSPJKMRTHPVSO-UHFFFAOYSA-N
XLogP1.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80782465
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80850356
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810065
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 64829120
2-[[6-(tert-butylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 146233506
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810928

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (CID 80810507) is 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is CCNc1cc(N(CCO)C(CC)CC)ncn1.
What is the InChIKey of 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The InChIKey is VRSPJKMRTHPVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11(5-2)17(7-8-18)13-9-12(14-6-3)15-10-16-13/h9-11,18H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80810507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).