4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

C19H25F2N5 — CID 71738409

IUPAC4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc(CNc2nc(C)c(C)c(NC3CCC(F)(F)CC3)n2)c1
InChIInChI=1S/C19H25F2N5/c1-12-6-9-22-16(10-12)11-23-18-24-14(3)13(2)17(26-18)25-15-4-7-19(20,21)8-5-15/h6,9-10,15H,4-5,7-8,11H2,1-3H3,(H2,23,24,25,26)
InChIKeyMBQAQPGJJVJCJS-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.40
Rot. Bonds5

About 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 71738409) has the molecular formula C19H25F2N5 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID71738409
Molecular FormulaC19H25F2N5
Molecular Weight361.44 g/mol
Exact Mass361.21
IUPAC Name4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc(CNc2nc(C)c(C)c(NC3CCC(F)(F)CC3)n2)c1
InChIInChI=1S/C19H25F2N5/c1-12-6-9-22-16(10-12)11-23-18-24-14(3)13(2)17(26-18)25-15-4-7-19(20,21)8-5-15/h6,9-10,15H,4-5,7-8,11H2,1-3H3,(H2,23,24,25,26)
InChIKeyMBQAQPGJJVJCJS-UHFFFAOYSA-N
XLogP4.40
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 71738409) is 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is Cc1ccnc(CNc2nc(C)c(C)c(NC3CCC(F)(F)CC3)n2)c1.
What is the InChIKey of 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MBQAQPGJJVJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5/c1-12-6-9-22-16(10-12)11-23-18-24-14(3)13(2)17(26-18)25-15-4-7-19(20,21)8-5-15/h6,9-10,15H,4-5,7-8,11H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 361.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71738409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).