4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C17H24N4O — CID 112883602

IUPAC4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H24N4O/c1-5-13(4)19-16-10-11-18-17(21-16)20-14-6-8-15(9-7-14)22-12(2)3/h6-13H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyMRZZBRSLDIWEPT-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.22
Rot. Bonds7

About 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112883602) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112883602
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H24N4O/c1-5-13(4)19-16-10-11-18-17(21-16)20-14-6-8-15(9-7-14)22-12(2)3/h6-13H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyMRZZBRSLDIWEPT-UHFFFAOYSA-N
XLogP4.22
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940784
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
1-[4-[[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905191
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
4-N-butan-2-yl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 112883635
4-N-(2,4-dimethoxyphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905226
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-N-(3-chloro-4-methoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904306

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112883602) is 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is MRZZBRSLDIWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-13(4)19-16-10-11-18-17(21-16)20-14-6-8-15(9-7-14)22-12(2)3/h6-13H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).