N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H18N4 — CID 155187523

IUPACN-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1ncnc2[nH]cc(CC)c12
InChIInChI=1S/C12H18N4/c1-3-5-6-13-11-10-9(4-2)7-14-12(10)16-8-15-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCNYYDXPDSSDFIU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.73
Rot. Bonds5

About N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155187523) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155187523
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1ncnc2[nH]cc(CC)c12
InChIInChI=1S/C12H18N4/c1-3-5-6-13-11-10-9(4-2)7-14-12(10)16-8-15-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCNYYDXPDSSDFIU-UHFFFAOYSA-N
XLogP2.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 170556578
1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanol
CID 164977527
N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167865422
5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174832913
2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 154786301
5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166336926
5-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 154799118
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-butyl-7H-purin-6-amine;ethane
CID 154667457
4-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-N,1-N,1-trimethylcyclohexane-1,4-diamine
CID 167793726

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 155187523) is N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCNc1ncnc2[nH]cc(CC)c12.
What is the InChIKey of N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CNYYDXPDSSDFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-5-6-13-11-10-9(4-2)7-14-12(10)16-8-15-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155187523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).