[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol

C14H18N4O — CID 134698233

IUPAC[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
SMILESCCNc1ccnc(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H18N4O/c1-2-15-13-6-7-16-14(18-13)17-9-11-4-3-5-12(8-11)10-19/h3-8,19H,2,9-10H2,1H3,(H2,15,16,17,18)
InChIKeyFXTAGGOAMHAESF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds6

About [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol

[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol (PubChem CID 134698233) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
PubChem CID134698233
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
SMILESCCNc1ccnc(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H18N4O/c1-2-15-13-6-7-16-14(18-13)17-9-11-4-3-5-12(8-11)10-19/h3-8,19H,2,9-10H2,1H3,(H2,15,16,17,18)
InChIKeyFXTAGGOAMHAESF-UHFFFAOYSA-N
XLogP2.01
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
4-N-[(3-methylphenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882676
[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
CID 115355459
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029

Frequently Asked Questions

What is the IUPAC name of [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol (CID 134698233) is [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol is CCNc1ccnc(NCc2cccc(CO)c2)n1.
What is the InChIKey of [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol?
The InChIKey is FXTAGGOAMHAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-13-6-7-16-14(18-13)17-9-11-4-3-5-12(8-11)10-19/h3-8,19H,2,9-10H2,1H3,(H2,15,16,17,18).
What are the key properties of [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol?
[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol has a molecular weight of 258.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 134698233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).