[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

C11H18N4O — CID 115457191

IUPAC[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCNc1nccc(NCC2(CO)CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-10-13-6-3-9(15-10)14-7-11(8-16)4-5-11/h3,6,16H,2,4-5,7-8H2,1H3,(H2,12,13,14,15)
InChIKeyIXDKIPBVMCZLJZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds6

About [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 115457191) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
PubChem CID115457191
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCNc1nccc(NCC2(CO)CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-10-13-6-3-9(15-10)14-7-11(8-16)4-5-11/h3,6,16H,2,4-5,7-8H2,1H3,(H2,12,13,14,15)
InChIKeyIXDKIPBVMCZLJZ-UHFFFAOYSA-N
XLogP1.09
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80833509
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80856561
[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838837
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 107874814

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (CID 115457191) is [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is CCNc1nccc(NCC2(CO)CC2)n1.
What is the InChIKey of [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is IXDKIPBVMCZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-12-10-13-6-3-9(15-10)14-7-11(8-16)4-5-11/h3,6,16H,2,4-5,7-8H2,1H3,(H2,12,13,14,15).
What are the key properties of [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 222.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115457191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).