2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol

C18H25N5O — CID 56704930

IUPAC2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESCC(c1ccc(-c2cc(NCCO)nc(N)n2)cc1)N1CCCC1
InChIInChI=1S/C18H25N5O/c1-13(23-9-2-3-10-23)14-4-6-15(7-5-14)16-12-17(20-8-11-24)22-18(19)21-16/h4-7,12-13,24H,2-3,8-11H2,1H3,(H3,19,20,21,22)
InChIKeyUVKWGQPLRGRXNH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.29
Rot. Bonds6

About 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol (PubChem CID 56704930) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol
PubChem CID56704930
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESCC(c1ccc(-c2cc(NCCO)nc(N)n2)cc1)N1CCCC1
InChIInChI=1S/C18H25N5O/c1-13(23-9-2-3-10-23)14-4-6-15(7-5-14)16-12-17(20-8-11-24)22-18(19)21-16/h4-7,12-13,24H,2-3,8-11H2,1H3,(H3,19,20,21,22)
InChIKeyUVKWGQPLRGRXNH-UHFFFAOYSA-N
XLogP2.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
AS1269574
CID 5332859
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
Rescovitine
CID 46881287
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol
CID 9549592
2-(2-hydroxyethylamino)-9-isopropylpurine core C6-substituents, 51
CID 51049525
2-{[2-(Phenylamino)quinazolin-4-yl]amino}ethanol
CID 1816791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol (CID 56704930) is 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol is CC(c1ccc(-c2cc(NCCO)nc(N)n2)cc1)N1CCCC1.
What is the InChIKey of 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is UVKWGQPLRGRXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(23-9-2-3-10-23)14-4-6-15(7-5-14)16-12-17(20-8-11-24)22-18(19)21-16/h4-7,12-13,24H,2-3,8-11H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 327.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 56704930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).