2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen

C18H22F2N6O — CID 159429366

IUPAC2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen
SMILESCOCCN(C)c1cc(Nc2cc(C)[nH]n2)nc(-c2cc(F)ccc2F)n1.[H][H]
InChIInChI=1S/C18H20F2N6O.H2/c1-11-8-16(25-24-11)21-15-10-17(26(2)6-7-27-3)23-18(22-15)13-9-12(19)4-5-14(13)20;/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23,24,25);1H
InChIKeyLQUCKHJFQWNGHR-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.53
Rot. Bonds7

About 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen

2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen (PubChem CID 159429366) has the molecular formula C18H22F2N6O and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen
PubChem CID159429366
Molecular FormulaC18H22F2N6O
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen
SMILESCOCCN(C)c1cc(Nc2cc(C)[nH]n2)nc(-c2cc(F)ccc2F)n1.[H][H]
InChIInChI=1S/C18H20F2N6O.H2/c1-11-8-16(25-24-11)21-15-10-17(26(2)6-7-27-3)23-18(22-15)13-9-12(19)4-5-14(13)20;/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23,24,25);1H
InChIKeyLQUCKHJFQWNGHR-UHFFFAOYSA-N
XLogP3.53
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen?
The IUPAC name of 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen (CID 159429366) is 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen is COCCN(C)c1cc(Nc2cc(C)[nH]n2)nc(-c2cc(F)ccc2F)n1.[H][H].
What is the InChIKey of 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen?
The InChIKey is LQUCKHJFQWNGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O.H2/c1-11-8-16(25-24-11)21-15-10-17(26(2)6-7-27-3)23-18(22-15)13-9-12(19)4-5-14(13)20;/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23,24,25);1H.
What are the key properties of 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen?
2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen has a molecular weight of 376.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;molecular hydrogen is sourced from PubChem (CID 159429366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).