N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide

C17H23N7O2 — CID 145441254

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCN(CCN1CCC(O)C1)C(=O)c1cnc(NCc2cnccn2)nc1
InChIInChI=1S/C17H23N7O2/c1-23(6-7-24-5-2-15(25)12-24)16(26)13-8-20-17(21-9-13)22-11-14-10-18-3-4-19-14/h3-4,8-10,15,25H,2,5-7,11-12H2,1H3,(H,20,21,22)
InChIKeyPMFULYYNJWITQV-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.02
Rot. Bonds7

About N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide

N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 145441254) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID145441254
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCN(CCN1CCC(O)C1)C(=O)c1cnc(NCc2cnccn2)nc1
InChIInChI=1S/C17H23N7O2/c1-23(6-7-24-5-2-15(25)12-24)16(26)13-8-20-17(21-9-13)22-11-14-10-18-3-4-19-14/h3-4,8-10,15,25H,2,5-7,11-12H2,1H3,(H,20,21,22)
InChIKeyPMFULYYNJWITQV-UHFFFAOYSA-N
XLogP0.02
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10906888, Example 128
CID 134177596
US10906888, Example 112
CID 134177719
US10906888, Example 129
CID 139580392
US10906888, Example 113
CID 139580417
US10906888, Example 120
CID 141746021
US10906888, Example 111
CID 139580313
US10906888, Example 124
CID 139580340
US10906888, Example 119
CID 139580388
2-(ethylamino)-N-[(5-methyl-2-pyrazinyl)methyl]-5-pyrimidinecarboxamide
CID 72837337
N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 74244823
N-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75398211
US10906888, Example 115
CID 139580361

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 145441254) is N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide is CN(CCN1CCC(O)C1)C(=O)c1cnc(NCc2cnccn2)nc1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is PMFULYYNJWITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-23(6-7-24-5-2-15(25)12-24)16(26)13-8-20-17(21-9-13)22-11-14-10-18-3-4-19-14/h3-4,8-10,15,25H,2,5-7,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 145441254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).