6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine

C11H20N4O — CID 80861882

IUPAC6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(OC(C)(C)C)nc(N)n1
InChIInChI=1S/C11H20N4O/c1-5-6-13-8-7-9(15-10(12)14-8)16-11(2,3)4/h7H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyICTZJZULYAGOFP-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.06
Rot. Bonds4

About 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine

6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80861882) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
PubChem CID80861882
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(OC(C)(C)C)nc(N)n1
InChIInChI=1S/C11H20N4O/c1-5-6-13-8-7-9(15-10(12)14-8)16-11(2,3)4/h7H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyICTZJZULYAGOFP-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
CID 80881143
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine (CID 80861882) is 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(OC(C)(C)C)nc(N)n1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is ICTZJZULYAGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-6-13-8-7-9(15-10(12)14-8)16-11(2,3)4/h7H,5-6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine?
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80861882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).