2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C10H11N5 — CID 167370951

IUPAC2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCCNc1ncc2c(C#N)c[nH]c2n1
InChIInChI=1S/C10H11N5/c1-2-3-12-10-14-6-8-7(4-11)5-13-9(8)15-10/h5-6H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyIHBFANKGIZGOFU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.65
Rot. Bonds3

About 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 167370951) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID167370951
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCCNc1ncc2c(C#N)c[nH]c2n1
InChIInChI=1S/C10H11N5/c1-2-3-12-10-14-6-8-7(4-11)5-13-9(8)15-10/h5-6H,2-3H2,1H3,(H2,12,13,14,15)
InChIKeyIHBFANKGIZGOFU-UHFFFAOYSA-N
XLogP1.65
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 82652088
2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142697569
2-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 167370979
6-chloro-4-(propylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 154972840
4-methylsulfanyl-2-(pentylamino)pyrimidine-5-carbonitrile
CID 70982911
7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;hydrochloride
CID 174939516
N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294912
5-fluoro-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 82683222
4-bromo-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801746
4-chloro-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80826124
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 167370951) is 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCCNc1ncc2c(C#N)c[nH]c2n1.
What is the InChIKey of 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is IHBFANKGIZGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-3-12-10-14-6-8-7(4-11)5-13-9(8)15-10/h5-6H,2-3H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 167370951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).