N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide

C14H24N4O3 — CID 61022788

IUPACN-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1c(OC)ncnc1OC
InChIInChI=1S/C14H24N4O3/c1-5-10(2)18-12(19)6-7-15-8-11-13(20-3)16-9-17-14(11)21-4/h9-10,15H,5-8H2,1-4H3,(H,18,19)
InChIKeyHSLMHEGFRGCQQQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.89
Rot. Bonds9

About N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide

N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide (PubChem CID 61022788) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
PubChem CID61022788
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1c(OC)ncnc1OC
InChIInChI=1S/C14H24N4O3/c1-5-10(2)18-12(19)6-7-15-8-11-13(20-3)16-9-17-14(11)21-4/h9-10,15H,5-8H2,1-4H3,(H,18,19)
InChIKeyHSLMHEGFRGCQQQ-UHFFFAOYSA-N
XLogP0.89
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-butan-2-yl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 115600781
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 63002028
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837
N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727
N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide
CID 61021841
N-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549294
methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide (CID 61022788) is N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1c(OC)ncnc1OC.
What is the InChIKey of N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
The InChIKey is HSLMHEGFRGCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-10(2)18-12(19)6-7-15-8-11-13(20-3)16-9-17-14(11)21-4/h9-10,15H,5-8H2,1-4H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide?
N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide has a molecular weight of 296.37 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide is sourced from PubChem (CID 61022788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).