N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide

C14H17N5O — CID 53492979

IUPACN,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N(C)c1ccnnc1
InChIInChI=1S/C14H17N5O/c1-9(2)13-15-8-12(10(3)18-13)14(20)19(4)11-5-6-16-17-7-11/h5-9H,1-4H3
InChIKeyVHDVRFDYKWQSTC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.98
Rot. Bonds3

About N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide

N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide (PubChem CID 53492979) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide
PubChem CID53492979
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N(C)c1ccnnc1
InChIInChI=1S/C14H17N5O/c1-9(2)13-15-8-12(10(3)18-13)14(20)19(4)11-5-6-16-17-7-11/h5-9H,1-4H3
InChIKeyVHDVRFDYKWQSTC-UHFFFAOYSA-N
XLogP1.98
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide (CID 53492979) is N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)N(C)c1ccnnc1.
What is the InChIKey of N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
The InChIKey is VHDVRFDYKWQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)13-15-8-12(10(3)18-13)14(20)19(4)11-5-6-16-17-7-11/h5-9H,1-4H3.
What are the key properties of N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53492979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).