6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine

C15H27N7O — CID 19138308

IUPAC6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(NCCN3CCOCC3)c2N)CC1
InChIInChI=1S/C15H27N7O/c1-20-4-6-22(7-5-20)15-13(16)14(18-12-19-15)17-2-3-21-8-10-23-11-9-21/h12H,2-11,16H2,1H3,(H,17,18,19)
InChIKeyLGZJFPVCHDCXNB-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.45
Rot. Bonds5

About 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine

6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine (PubChem CID 19138308) has the molecular formula C15H27N7O and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
PubChem CID19138308
Molecular FormulaC15H27N7O
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(NCCN3CCOCC3)c2N)CC1
InChIInChI=1S/C15H27N7O/c1-20-4-6-22(7-5-20)15-13(16)14(18-12-19-15)17-2-3-21-8-10-23-11-9-21/h12H,2-11,16H2,1H3,(H,17,18,19)
InChIKeyLGZJFPVCHDCXNB-UHFFFAOYSA-N
XLogP-0.45
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19153551
4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138287
4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138195
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137648
3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141538
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541759

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine (CID 19138308) is 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine is CN1CCN(c2ncnc(NCCN3CCOCC3)c2N)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is LGZJFPVCHDCXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O/c1-20-4-6-22(7-5-20)15-13(16)14(18-12-19-15)17-2-3-21-8-10-23-11-9-21/h12H,2-11,16H2,1H3,(H,17,18,19).
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 321.43 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).