4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol

C15H20N4O — CID 13112734

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O
InChIInChI=1S/C15H20N4O/c1-3-10-5-9(6-11(4-2)13(10)20)7-12-8-18-15(17)19-14(12)16/h5-6,8,20H,3-4,7H2,1-2H3,(H4,16,17,18,19)
InChIKeyVUYZAOCZFHLOER-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.06
Rot. Bonds4

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol (PubChem CID 13112734) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol
PubChem CID13112734
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O
InChIInChI=1S/C15H20N4O/c1-3-10-5-9(6-11(4-2)13(10)20)7-12-8-18-15(17)19-14(12)16/h5-6,8,20H,3-4,7H2,1-2H3,(H4,16,17,18,19)
InChIKeyVUYZAOCZFHLOER-UHFFFAOYSA-N
XLogP2.06
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
6-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hexanoic acid
CID 504026
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
2,4-Diamino-5-[4-trifluoromethoxybenzyl]pyrimidine
CID 625108
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
5-[(3,4-Dimethoxy-5-propylphenyl)methyl]pyrimidine-2,4-diamine
CID 13953684
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
2-Allyl-4-(2,4-diamino-pyrimidin-5-ylmethyl)-6-methoxy-phenol
CID 14570151
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
2,4-Diamino-5-[3-trifluoromethyl-4-methoxybenzyl]pyrimidine
CID 626825
5-(4-Isobutoxy-benzyl)-pyrimidine-2,4-diamine
CID 739795

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol (CID 13112734) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol is CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol?
The InChIKey is VUYZAOCZFHLOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-10-5-9(6-11(4-2)13(10)20)7-12-8-18-15(17)19-14(12)16/h5-6,8,20H,3-4,7H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol has a molecular weight of 272.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethylphenol is sourced from PubChem (CID 13112734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).