N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide

C14H20N6O — CID 70703141

IUPACN-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1cc(-n2ccc(C)n2)ncn1
InChIInChI=1S/C14H20N6O/c1-3-4-14(21)16-7-6-15-12-9-13(18-10-17-12)20-8-5-11(2)19-20/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,21)(H,15,17,18)
InChIKeyYVZHQCQHZVQWBS-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.30
Rot. Bonds7

About N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide

N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide (PubChem CID 70703141) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide
PubChem CID70703141
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1cc(-n2ccc(C)n2)ncn1
InChIInChI=1S/C14H20N6O/c1-3-4-14(21)16-7-6-15-12-9-13(18-10-17-12)20-8-5-11(2)19-20/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,21)(H,15,17,18)
InChIKeyYVZHQCQHZVQWBS-UHFFFAOYSA-N
XLogP1.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.30
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

CID 69081779
CID 69081779
CID 69083959
CID 69083959
CID 69093445
CID 69093445
CID 76336221
CID 76336221
CID 132244718
CID 132244718
CID 145900909
CID 145900909
CID 140943459
CID 140943459
CID 140943518
CID 140943518
CID 140943527
CID 140943527
CID 25914951
CID 25914951
CID 29084238
CID 29084238
CID 34831861
CID 34831861

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide (CID 70703141) is N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide is CCCC(=O)NCCNc1cc(-n2ccc(C)n2)ncn1.
What is the InChIKey of N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide?
The InChIKey is YVZHQCQHZVQWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-4-14(21)16-7-6-15-12-9-13(18-10-17-12)20-8-5-11(2)19-20/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,21)(H,15,17,18).
What are the key properties of N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide?
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide has a molecular weight of 288.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]butanamide is sourced from PubChem (CID 70703141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).