4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine

C11H21N5O — CID 19135526

IUPAC4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(NC(C)COC)c1N
InChIInChI=1S/C11H21N5O/c1-4-5-13-10-9(12)11(15-7-14-10)16-8(2)6-17-3/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyQFPSLUZSCJSJPY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds7

About 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine

4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine (PubChem CID 19135526) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
PubChem CID19135526
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(NC(C)COC)c1N
InChIInChI=1S/C11H21N5O/c1-4-5-13-10-9(12)11(15-7-14-10)16-8(2)6-17-3/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyQFPSLUZSCJSJPY-UHFFFAOYSA-N
XLogP1.33
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-N-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22540147
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
6-N-hexadecyl-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 23494567
6-(4-bromophenoxy)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19154133
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19136670
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine (CID 19135526) is 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine is CCCNc1ncnc(NC(C)COC)c1N.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine?
The InChIKey is QFPSLUZSCJSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-5-13-10-9(12)11(15-7-14-10)16-8(2)6-17-3/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine?
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine has a molecular weight of 239.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).