N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide

C12H21N5O — CID 80780270

IUPACN-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1nc(C)cc(N(C)CC(=O)NC)n1
InChIInChI=1S/C12H21N5O/c1-5-6-14-12-15-9(2)7-10(16-12)17(4)8-11(18)13-3/h7H,5-6,8H2,1-4H3,(H,13,18)(H,14,15,16)
InChIKeyKQOHTCJZAYVPKD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds6

About N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide

N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80780270) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80780270
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1nc(C)cc(N(C)CC(=O)NC)n1
InChIInChI=1S/C12H21N5O/c1-5-6-14-12-15-9(2)7-10(16-12)17(4)8-11(18)13-3/h7H,5-6,8H2,1-4H3,(H,13,18)(H,14,15,16)
InChIKeyKQOHTCJZAYVPKD-UHFFFAOYSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80780270) is N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1nc(C)cc(N(C)CC(=O)NC)n1.
What is the InChIKey of N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is KQOHTCJZAYVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-6-14-12-15-9(2)7-10(16-12)17(4)8-11(18)13-3/h7H,5-6,8H2,1-4H3,(H,13,18)(H,14,15,16).
What are the key properties of N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide?
N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80780270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).