N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide

C21H24N6O2 — CID 134285001

IUPACN,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide
SMILESCc1cc(NCCC(=O)N(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H24N6O2/c1-14-12-18(22-11-10-19(28)27(2)3)25-20(23-14)26-21(29)24-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,24,25,26,29)
InChIKeyFSKBGBSTAGDVDT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.47
Rot. Bonds6

About N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide

N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 134285001) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID134285001
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide
SMILESCc1cc(NCCC(=O)N(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H24N6O2/c1-14-12-18(22-11-10-19(28)27(2)3)25-20(23-14)26-21(29)24-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,24,25,26,29)
InChIKeyFSKBGBSTAGDVDT-UHFFFAOYSA-N
XLogP3.47
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide (CID 134285001) is N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide is Cc1cc(NCCC(=O)N(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is FSKBGBSTAGDVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-12-18(22-11-10-19(28)27(2)3)25-20(23-14)26-21(29)24-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,24,25,26,29).
What are the key properties of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?
N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 134285001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).