2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide

C12H20N4O2 — CID 75538790

IUPAC2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOCc1nc(N(C)C)ncc1C(=O)NC(C)C
InChIInChI=1S/C12H20N4O2/c1-8(2)14-11(17)9-6-13-12(16(3)4)15-10(9)7-18-5/h6,8H,7H2,1-5H3,(H,14,17)
InChIKeyRLQODTMGRQRDQY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.83
Rot. Bonds5

About 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide

2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 75538790) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID75538790
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOCc1nc(N(C)C)ncc1C(=O)NC(C)C
InChIInChI=1S/C12H20N4O2/c1-8(2)14-11(17)9-6-13-12(16(3)4)15-10(9)7-18-5/h6,8H,7H2,1-5H3,(H,14,17)
InChIKeyRLQODTMGRQRDQY-UHFFFAOYSA-N
XLogP0.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide (CID 75538790) is 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide is COCc1nc(N(C)C)ncc1C(=O)NC(C)C.
What is the InChIKey of 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is RLQODTMGRQRDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)14-11(17)9-6-13-12(16(3)4)15-10(9)7-18-5/h6,8H,7H2,1-5H3,(H,14,17).
What are the key properties of 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide?
2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 75538790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).