6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

C17H24N6O — CID 166611741

IUPAC6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N6O/c1-3-14-15(16(18)21-17(19)20-14)23-9-7-22(8-10-23)12-5-4-6-13(11-12)24-2/h4-6,11H,3,7-10H2,1-2H3,(H4,18,19,20,21)
InChIKeySSEILEKLHZLBHD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.54
Rot. Bonds4

About 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 166611741) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID166611741
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N6O/c1-3-14-15(16(18)21-17(19)20-14)23-9-7-22(8-10-23)12-5-4-6-13(11-12)24-2/h4-6,11H,3,7-10H2,1-2H3,(H4,18,19,20,21)
InChIKeySSEILEKLHZLBHD-UHFFFAOYSA-N
XLogP1.54
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(4-ethylphenyl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 7341953
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
1-(3-methoxyphenyl)azepane
CID 57276431
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 166611741) is 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is SSEILEKLHZLBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-14-15(16(18)21-17(19)20-14)23-9-7-22(8-10-23)12-5-4-6-13(11-12)24-2/h4-6,11H,3,7-10H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166611741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).