6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione

C17H27N5O2 — CID 91835895

IUPAC6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN(Cc2c(C)nn(C)c2C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H27N5O2/c1-11(2)21(10-15-13(4)19-20(6)14(15)5)7-8-22-16(23)9-12(3)18-17(22)24/h9,11H,7-8,10H2,1-6H3,(H,18,24)
InChIKeyZGBNKBPPISLADR-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.11
Rot. Bonds6

About 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 91835895) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID91835895
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN(Cc2c(C)nn(C)c2C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H27N5O2/c1-11(2)21(10-15-13(4)19-20(6)14(15)5)7-8-22-16(23)9-12(3)18-17(22)24/h9,11H,7-8,10H2,1-6H3,(H,18,24)
InChIKeyZGBNKBPPISLADR-UHFFFAOYSA-N
XLogP1.11
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 46999441
4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
CID 154773020
6-methyl-3-[2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]ethyl]-1H-pyrimidine-2,4-dione
CID 91843148
N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 46989726
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
[2-chloro-6-methoxy-4-[[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]phenyl] acetate
CID 47000368
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 46983799
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 25370442
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50972818

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione (CID 91835895) is 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN(Cc2c(C)nn(C)c2C)C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZGBNKBPPISLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)21(10-15-13(4)19-20(6)14(15)5)7-8-22-16(23)9-12(3)18-17(22)24/h9,11H,7-8,10H2,1-6H3,(H,18,24).
What are the key properties of 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 333.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91835895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).