N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C14H16ClN5O — CID 103094878

IUPACN-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C14H16ClN5O/c1-8(2)12-18-7-10(16-3)11(19-12)14(21)20-13-9(15)5-4-6-17-13/h4-8,16H,1-3H3,(H,17,20,21)
InChIKeyIGNKCDZASNHKMO-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.94
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103094878) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103094878
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC NameN-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C14H16ClN5O/c1-8(2)12-18-7-10(16-3)11(19-12)14(21)20-13-9(15)5-4-6-17-13/h4-8,16H,1-3H3,(H,17,20,21)
InChIKeyIGNKCDZASNHKMO-UHFFFAOYSA-N
XLogP2.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 103094878) is N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is IGNKCDZASNHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-8(2)12-18-7-10(16-3)11(19-12)14(21)20-13-9(15)5-4-6-17-13/h4-8,16H,1-3H3,(H,17,20,21).
What are the key properties of N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103094878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).