4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine

C15H18N4O2 — CID 80977407

IUPAC4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H18N4O2/c1-3-4-13-18-14(16)9(2)15(19-13)17-10-5-6-11-12(7-10)21-8-20-11/h5-7H,3-4,8H2,1-2H3,(H3,16,17,18,19)
InChIKeyODFVMVMZUWOMNV-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.79
Rot. Bonds4

About 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80977407) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80977407
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H18N4O2/c1-3-4-13-18-14(16)9(2)15(19-13)17-10-5-6-11-12(7-10)21-8-20-11/h5-7H,3-4,8H2,1-2H3,(H3,16,17,18,19)
InChIKeyODFVMVMZUWOMNV-UHFFFAOYSA-N
XLogP2.79
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80982098
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017475
N-(1,3-benzodioxol-5-yl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965456
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
2-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 159014037
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 117093416
4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 102855436

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80977407) is 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is ODFVMVMZUWOMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-4-13-18-14(16)9(2)15(19-13)17-10-5-6-11-12(7-10)21-8-20-11/h5-7H,3-4,8H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 286.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80977407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).