2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C19H25N5O2 — CID 50977059

IUPAC2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C19H25N5O2/c1-14-17(11-21-19(22-14)23(2)3)18(25)24(13-16-5-4-10-26-16)12-15-6-8-20-9-7-15/h6-9,11,16H,4-5,10,12-13H2,1-3H3
InChIKeyGNEUEMVWGMRWIX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.07
Rot. Bonds6

About 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 50977059) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID50977059
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C19H25N5O2/c1-14-17(11-21-19(22-14)23(2)3)18(25)24(13-16-5-4-10-26-16)12-15-6-8-20-9-7-15/h6-9,11,16H,4-5,10,12-13H2,1-3H3
InChIKeyGNEUEMVWGMRWIX-UHFFFAOYSA-N
XLogP2.07
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 50977059) is 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)N(Cc1ccncc1)CC1CCCO1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is GNEUEMVWGMRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-17(11-21-19(22-14)23(2)3)18(25)24(13-16-5-4-10-26-16)12-15-6-8-20-9-7-15/h6-9,11,16H,4-5,10,12-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 50977059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).