4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol

C16H20N4O — CID 154745147

IUPAC4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C16H20N4O/c21-14-5-3-13(4-6-14)7-8-17-15-11-16(19-12-18-15)20-9-1-2-10-20/h3-6,11-12,21H,1-2,7-10H2,(H,17,18,19)
InChIKeyDNASXICIOQDDLO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds5

About 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 154745147) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
PubChem CID154745147
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C16H20N4O/c21-14-5-3-13(4-6-14)7-8-17-15-11-16(19-12-18-15)20-9-1-2-10-20/h3-6,11-12,21H,1-2,7-10H2,(H,17,18,19)
InChIKeyDNASXICIOQDDLO-UHFFFAOYSA-N
XLogP2.44
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858398
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855638
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117083977
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol (CID 154745147) is 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol is Oc1ccc(CCNc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is DNASXICIOQDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-14-5-3-13(4-6-14)7-8-17-15-11-16(19-12-18-15)20-9-1-2-10-20/h3-6,11-12,21H,1-2,7-10H2,(H,17,18,19).
What are the key properties of 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 154745147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).