1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid

C15H18N4O2 — CID 118739707

IUPAC1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid
SMILESCN(C)c1ncc(-c2cc(C(=O)O)n(CC3CC3)c2)cn1
InChIInChI=1S/C15H18N4O2/c1-18(2)15-16-6-12(7-17-15)11-5-13(14(20)21)19(9-11)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyYJGPZQFUTPKZJL-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.12
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid (PubChem CID 118739707) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid
PubChem CID118739707
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid
SMILESCN(C)c1ncc(-c2cc(C(=O)O)n(CC3CC3)c2)cn1
InChIInChI=1S/C15H18N4O2/c1-18(2)15-16-6-12(7-17-15)11-5-13(14(20)21)19(9-11)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyYJGPZQFUTPKZJL-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid (CID 118739707) is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid is CN(C)c1ncc(-c2cc(C(=O)O)n(CC3CC3)c2)cn1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid?
The InChIKey is YJGPZQFUTPKZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(2)15-16-6-12(7-17-15)11-5-13(14(20)21)19(9-11)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid?
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 118739707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).