2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol

C12H22N4O — CID 80790816

IUPAC2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(C)cc(N(CC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-6-13-12-14-10(3)9-11(15-12)16(5-2)7-8-17/h9,17H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyJABVXRCHTLBCCR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds7

About 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol

2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80790816) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80790816
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(C)cc(N(CC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-6-13-12-14-10(3)9-11(15-12)16(5-2)7-8-17/h9,17H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyJABVXRCHTLBCCR-UHFFFAOYSA-N
XLogP1.43
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80751646
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 80790816) is 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1nc(C)cc(N(CC)CCO)n1.
What is the InChIKey of 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is JABVXRCHTLBCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-13-12-14-10(3)9-11(15-12)16(5-2)7-8-17/h9,17H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80790816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).