N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide

C17H25N5O — CID 97361576

IUPACN-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(-c2cnc(N(C)C)nc2)cn1C
InChIInChI=1S/C17H25N5O/c1-6-7-8-21(4)16(23)15-9-13(12-22(15)5)14-10-18-17(19-11-14)20(2)3/h9-12H,6-8H2,1-5H3
InChIKeyBZDQSMSRMKUSMK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.42
Rot. Bonds6

About N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide

N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 97361576) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID97361576
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(-c2cnc(N(C)C)nc2)cn1C
InChIInChI=1S/C17H25N5O/c1-6-7-8-21(4)16(23)15-9-13(12-22(15)5)14-10-18-17(19-11-14)20(2)3/h9-12H,6-8H2,1-5H3
InChIKeyBZDQSMSRMKUSMK-UHFFFAOYSA-N
XLogP2.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 97361576) is N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide is CCCCN(C)C(=O)c1cc(-c2cnc(N(C)C)nc2)cn1C.
What is the InChIKey of N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is BZDQSMSRMKUSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-6-7-8-21(4)16(23)15-9-13(12-22(15)5)14-10-18-17(19-11-14)20(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide?
N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 97361576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).