ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C18H27N7 — CID 145336730

IUPACethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCC1CC1.CNc1nc(Nc2cnn(C(C)C)c2)nc2[nH]ccc12
InChIInChI=1S/C13H17N7.C5H10/c1-8(2)20-7-9(6-16-20)17-13-18-11(14-3)10-4-5-15-12(10)19-13;1-2-5-3-4-5/h4-8H,1-3H3,(H3,14,15,17,18,19);5H,2-4H2,1H3
InChIKeyUYASFBSFKMITBF-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.33
Rot. Bonds5

About ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 145336730) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID145336730
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Nameethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCC1CC1.CNc1nc(Nc2cnn(C(C)C)c2)nc2[nH]ccc12
InChIInChI=1S/C13H17N7.C5H10/c1-8(2)20-7-9(6-16-20)17-13-18-11(14-3)10-4-5-15-12(10)19-13;1-2-5-3-4-5/h4-8H,1-3H3,(H3,14,15,17,18,19);5H,2-4H2,1H3
InChIKeyUYASFBSFKMITBF-UHFFFAOYSA-N
XLogP4.33
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-fluoro-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336760
4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129276038
2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244964
4-N-[(1R)-1-cyclopropylethyl]-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266631
2-[4-[(4-amino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-N-methylpropanamide;ethylcyclopropane
CID 145336753
4-N-[(1S)-1-cyclopropylethyl]-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244987
4-N-(1-cyclopropylethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244990
4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 165385604
1-[3-[[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 155166055
4-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266663
4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266633
4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129245006

Frequently Asked Questions

What is the IUPAC name of ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 145336730) is ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCC1CC1.CNc1nc(Nc2cnn(C(C)C)c2)nc2[nH]ccc12.
What is the InChIKey of ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UYASFBSFKMITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7.C5H10/c1-8(2)20-7-9(6-16-20)17-13-18-11(14-3)10-4-5-15-12(10)19-13;1-2-5-3-4-5/h4-8H,1-3H3,(H3,14,15,17,18,19);5H,2-4H2,1H3.
What are the key properties of ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 145336730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).