2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C19H18F2N4O — CID 112894993

IUPAC2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CCNc1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C19H18F2N4O/c1-26-17-5-3-2-4-13(17)8-10-22-18-9-11-23-19(25-18)24-16-7-6-14(20)12-15(16)21/h2-7,9,11-12H,8,10H2,1H3,(H2,22,23,24,25)
InChIKeyDHIVCZALXDCVTC-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.16
Rot. Bonds7

About 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112894993) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112894993
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CCNc1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C19H18F2N4O/c1-26-17-5-3-2-4-13(17)8-10-22-18-9-11-23-19(25-18)24-16-7-6-14(20)12-15(16)21/h2-7,9,11-12H,8,10H2,1H3,(H2,22,23,24,25)
InChIKeyDHIVCZALXDCVTC-UHFFFAOYSA-N
XLogP4.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886150
4-N-(3-fluorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895100
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112891749
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
2-N-(4-ethoxyphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894966
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882695
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890143
5-N-(2,4-difluorophenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951001

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112894993) is 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1ccccc1CCNc1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is DHIVCZALXDCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-26-17-5-3-2-4-13(17)8-10-22-18-9-11-23-19(25-18)24-16-7-6-14(20)12-15(16)21/h2-7,9,11-12H,8,10H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 356.38 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112894993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).