4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol

C15H20N4O — CID 80797099

IUPAC4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCCNc1nccc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C15H20N4O/c1-2-9-17-15-18-11-8-14(19-15)16-10-7-12-3-5-13(20)6-4-12/h3-6,8,11,20H,2,7,9-10H2,1H3,(H2,16,17,18,19)
InChIKeySPADIEJDBOIJEH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.66
Rot. Bonds7

About 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 80797099) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID80797099
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCCNc1nccc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C15H20N4O/c1-2-9-17-15-18-11-8-14(19-15)16-10-7-12-3-5-13(20)6-4-12/h3-6,8,11,20H,2,7,9-10H2,1H3,(H2,16,17,18,19)
InChIKeySPADIEJDBOIJEH-UHFFFAOYSA-N
XLogP2.66
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
4-[2-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082238
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[(4-chloropyrimidin-2-yl)amino]ethyl]phenol;2,4-dichloropyrimidine
CID 87247267
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 80797099) is 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol is CCCNc1nccc(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is SPADIEJDBOIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-17-15-18-11-8-14(19-15)16-10-7-12-3-5-13(20)6-4-12/h3-6,8,11,20H,2,7,9-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 80797099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).