2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine

C16H22N4O — CID 112881861

IUPAC2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-15-9-11-18-16(20-15)19-13-7-5-6-8-14(13)21-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyPFDPUIJPXHYRCI-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.83
Rot. Bonds7

About 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine

2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881861) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881861
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-15-9-11-18-16(20-15)19-13-7-5-6-8-14(13)21-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyPFDPUIJPXHYRCI-UHFFFAOYSA-N
XLogP3.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
4-N-(4-chlorophenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112903764
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905143
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895416
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112897086

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881861) is 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is PFDPUIJPXHYRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10-17-15-9-11-18-16(20-15)19-13-7-5-6-8-14(13)21-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).