3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide

C22H30N6O2 — CID 166712554

IUPAC3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC1=NC(NC(=O)Nc2ccc3ccccc3c2)N(C)C(NCCC(=O)N(C)C)C1
InChIInChI=1S/C22H30N6O2/c1-15-13-19(23-12-11-20(29)27(2)3)28(4)21(24-15)26-22(30)25-18-10-9-16-7-5-6-8-17(16)14-18/h5-10,14,19,21,23H,11-13H2,1-4H3,(H2,25,26,30)
InChIKeyYMRKDVTWVHVAFN-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.44
Rot. Bonds6

About 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide

3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 166712554) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID166712554
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCC1=NC(NC(=O)Nc2ccc3ccccc3c2)N(C)C(NCCC(=O)N(C)C)C1
InChIInChI=1S/C22H30N6O2/c1-15-13-19(23-12-11-20(29)27(2)3)28(4)21(24-15)26-22(30)25-18-10-9-16-7-5-6-8-17(16)14-18/h5-10,14,19,21,23H,11-13H2,1-4H3,(H2,25,26,30)
InChIKeyYMRKDVTWVHVAFN-UHFFFAOYSA-N
XLogP2.44
TPSA89.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 166712554) is 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CC1=NC(NC(=O)Nc2ccc3ccccc3c2)N(C)C(NCCC(=O)N(C)C)C1.
What is the InChIKey of 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is YMRKDVTWVHVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15-13-19(23-12-11-20(29)27(2)3)28(4)21(24-15)26-22(30)25-18-10-9-16-7-5-6-8-17(16)14-18/h5-10,14,19,21,23H,11-13H2,1-4H3,(H2,25,26,30).
What are the key properties of 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,6-dimethyl-2-(naphthalen-2-ylcarbamoylamino)-4,5-dihydro-2H-pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 166712554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).