N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide

C12H17ClN4O2 — CID 66369006

IUPACN-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C12H17ClN4O2/c1-3-8(2)17-10(19)4-5-14-12-9(6-18)11(13)15-7-16-12/h6-8H,3-5H2,1-2H3,(H,17,19)(H,14,15,16)
InChIKeyYMVRSSPEBLDVMI-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.66
Rot. Bonds7

About N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide

N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide (PubChem CID 66369006) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide
PubChem CID66369006
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C12H17ClN4O2/c1-3-8(2)17-10(19)4-5-14-12-9(6-18)11(13)15-7-16-12/h6-8H,3-5H2,1-2H3,(H,17,19)(H,14,15,16)
InChIKeyYMVRSSPEBLDVMI-UHFFFAOYSA-N
XLogP1.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410948
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102750885
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921
N-butan-2-yl-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686318
4-chloro-6-(4-propan-2-yloxybutylamino)pyrimidine-5-carbaldehyde
CID 114137328
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
2-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175883
4-chloro-6-[(4-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66366550
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
4-chloro-6-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66367585
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide (CID 66369006) is N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide is CCC(C)NC(=O)CCNc1ncnc(Cl)c1C=O.
What is the InChIKey of N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide?
The InChIKey is YMVRSSPEBLDVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-3-8(2)17-10(19)4-5-14-12-9(6-18)11(13)15-7-16-12/h6-8H,3-5H2,1-2H3,(H,17,19)(H,14,15,16).
What are the key properties of N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide?
N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide has a molecular weight of 284.75 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 66369006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).