N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide

C13H23N5O — CID 106918543

IUPACN-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)CCN(C)c1ncnc(NC)c1C(C)C
InChIInChI=1S/C13H23N5O/c1-9(2)11-12(15-4)16-8-17-13(11)18(5)7-6-10(19)14-3/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyKAPCAZGUXZIBHK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.21
Rot. Bonds6

About N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide

N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide (PubChem CID 106918543) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
PubChem CID106918543
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)CCN(C)c1ncnc(NC)c1C(C)C
InChIInChI=1S/C13H23N5O/c1-9(2)11-12(15-4)16-8-17-13(11)18(5)7-6-10(19)14-3/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyKAPCAZGUXZIBHK-UHFFFAOYSA-N
XLogP1.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 107207555
4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787539
3-[[6-(ethylamino)-5-nitropyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918572
4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80776961
2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80821267
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918505
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106914177
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80786397
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide (CID 106918543) is N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide is CNC(=O)CCN(C)c1ncnc(NC)c1C(C)C.
What is the InChIKey of N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
The InChIKey is KAPCAZGUXZIBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)11-12(15-4)16-8-17-13(11)18(5)7-6-10(19)14-3/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16,17).
What are the key properties of N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide?
N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106918543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).