4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine

C12H22N4O — CID 80954546

IUPAC4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCC(C)COC)n1
InChIInChI=1S/C12H22N4O/c1-4-5-11-15-10(13)6-12(16-11)14-7-9(2)8-17-3/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyIOQZCUZHEKZXQB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.71
Rot. Bonds7

About 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine

4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80954546) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80954546
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCC(C)COC)n1
InChIInChI=1S/C12H22N4O/c1-4-5-11-15-10(13)6-12(16-11)14-7-9(2)8-17-3/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyIOQZCUZHEKZXQB-UHFFFAOYSA-N
XLogP1.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955011
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine (CID 80954546) is 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCC(C)COC)n1.
What is the InChIKey of 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is IOQZCUZHEKZXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-11-15-10(13)6-12(16-11)14-7-9(2)8-17-3/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).