N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H18N4 — CID 110430366

IUPACN-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ncnc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4/c1-3-20(10-13-7-5-4-6-8-13)16-14-9-12(2)19-15(14)17-11-18-16/h4-9,11H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyWMKVEIBYZZACKO-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.29
Rot. Bonds4

About N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430366) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430366
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ncnc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4/c1-3-20(10-13-7-5-4-6-8-13)16-14-9-12(2)19-15(14)17-11-18-16/h4-9,11H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyWMKVEIBYZZACKO-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961046
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017316
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867
3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61175356
N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 130162876
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
CID 62672158
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3-[4-[benzyl(methyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 171513310

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430366) is N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCN(Cc1ccccc1)c1ncnc2[nH]c(C)cc12.
What is the InChIKey of N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WMKVEIBYZZACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-20(10-13-7-5-4-6-8-13)16-14-9-12(2)19-15(14)17-11-18-16/h4-9,11H,3,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).