4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C10H13N5O — CID 165397799

IUPAC4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)c2c(C(N)=O)c[nH]c2n1
InChIInChI=1S/C10H13N5O/c1-5-13-9-7(10(14-5)15(2)3)6(4-12-9)8(11)16/h4H,1-3H3,(H2,11,16)(H,12,13,14)
InChIKeySCKDOVFPBUZCJT-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.43
Rot. Bonds2

About 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 165397799) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID165397799
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)c2c(C(N)=O)c[nH]c2n1
InChIInChI=1S/C10H13N5O/c1-5-13-9-7(10(14-5)15(2)3)6(4-12-9)8(11)16/h4H,1-3H3,(H2,11,16)(H,12,13,14)
InChIKeySCKDOVFPBUZCJT-UHFFFAOYSA-N
XLogP0.43
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 165397799) is 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1nc(N(C)C)c2c(C(N)=O)c[nH]c2n1.
What is the InChIKey of 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SCKDOVFPBUZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-5-13-9-7(10(14-5)15(2)3)6(4-12-9)8(11)16/h4H,1-3H3,(H2,11,16)(H,12,13,14).
What are the key properties of 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 165397799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).