2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C20H23N5O — CID 112873618

IUPAC2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccncc2)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C20H23N5O/c1-14(2)26-18-6-4-17(5-7-18)25-20-12-19(23-15(3)24-20)22-13-16-8-10-21-11-9-16/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyXZUZDCCXZGYIGY-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.32
Rot. Bonds7

About 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112873618) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112873618
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccncc2)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C20H23N5O/c1-14(2)26-18-6-4-17(5-7-18)25-20-12-19(23-15(3)24-20)22-13-16-8-10-21-11-9-16/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyXZUZDCCXZGYIGY-UHFFFAOYSA-N
XLogP4.32
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112873631
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
6-N-[2-(3-methoxyphenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112874243
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112868253
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115266355
6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919941
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112873618) is 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(NCc2ccncc2)cc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is XZUZDCCXZGYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)26-18-6-4-17(5-7-18)25-20-12-19(23-15(3)24-20)22-13-16-8-10-21-11-9-16/h4-12,14H,13H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 349.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).