4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide

C16H15ClF2N4O2 — CID 138987369

IUPAC4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide
SMILESNc1nc(C2CC2)ncc1C(=O)NCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C16H15ClF2N4O2/c17-11-2-1-3-12(25-16(18)19)9(11)6-22-15(24)10-7-21-14(8-4-5-8)23-13(10)20/h1-3,7-8,16H,4-6H2,(H,22,24)(H2,20,21,23)
InChIKeyFGHGGMVAGNPDLH-UHFFFAOYSA-N
MW368.77 g/mol
LogP3.12
Rot. Bonds6

About 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide

4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide (PubChem CID 138987369) has the molecular formula C16H15ClF2N4O2 and a molecular weight of 368.77 g/mol. Its IUPAC name is 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide
PubChem CID138987369
Molecular FormulaC16H15ClF2N4O2
Molecular Weight368.77 g/mol
Exact Mass368.09
IUPAC Name4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide
SMILESNc1nc(C2CC2)ncc1C(=O)NCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C16H15ClF2N4O2/c17-11-2-1-3-12(25-16(18)19)9(11)6-22-15(24)10-7-21-14(8-4-5-8)23-13(10)20/h1-3,7-8,16H,4-6H2,(H,22,24)(H2,20,21,23)
InChIKeyFGHGGMVAGNPDLH-UHFFFAOYSA-N
XLogP3.12
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide (CID 138987369) is 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide is Nc1nc(C2CC2)ncc1C(=O)NCc1c(Cl)cccc1OC(F)F.
What is the InChIKey of 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide?
The InChIKey is FGHGGMVAGNPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O2/c17-11-2-1-3-12(25-16(18)19)9(11)6-22-15(24)10-7-21-14(8-4-5-8)23-13(10)20/h1-3,7-8,16H,4-6H2,(H,22,24)(H2,20,21,23).
What are the key properties of 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide?
4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide has a molecular weight of 368.77 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-2-cyclopropylpyrimidine-5-carboxamide is sourced from PubChem (CID 138987369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).