4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine

C12H22N4O — CID 80955011

IUPAC4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)C(C)COC)n1
InChIInChI=1S/C12H22N4O/c1-5-6-11-14-10(13)7-12(15-11)16(3)9(2)8-17-4/h7,9H,5-6,8H2,1-4H3,(H2,13,14,15)
InChIKeyMABOQDRMPQECPX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds6

About 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80955011) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80955011
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)C(C)COC)n1
InChIInChI=1S/C12H22N4O/c1-5-6-11-14-10(13)7-12(15-11)16(3)9(2)8-17-4/h7,9H,5-6,8H2,1-4H3,(H2,13,14,15)
InChIKeyMABOQDRMPQECPX-UHFFFAOYSA-N
XLogP1.48
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine
CID 81068729
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80943728
6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104923935
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954546
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933289
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80955011) is 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)C(C)COC)n1.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is MABOQDRMPQECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-11-14-10(13)7-12(15-11)16(3)9(2)8-17-4/h7,9H,5-6,8H2,1-4H3,(H2,13,14,15).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).