N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine

C19H22N6O2 — CID 126891315

IUPACN-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3nncc4ccoc34)CC2)ncn1
InChIInChI=1S/C19H22N6O2/c1-26-17-10-16(20-12-21-17)25(14-2-3-14)15-4-7-24(8-5-15)19-18-13(6-9-27-18)11-22-23-19/h6,9-12,14-15H,2-5,7-8H2,1H3
InChIKeyDTUNMHBGJLRYNL-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine

N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine (PubChem CID 126891315) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
PubChem CID126891315
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3nncc4ccoc34)CC2)ncn1
InChIInChI=1S/C19H22N6O2/c1-26-17-10-16(20-12-21-17)25(14-2-3-14)15-4-7-24(8-5-15)19-18-13(6-9-27-18)11-22-23-19/h6,9-12,14-15H,2-5,7-8H2,1H3
InChIKeyDTUNMHBGJLRYNL-UHFFFAOYSA-N
XLogP2.66
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171995144
N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
N-cyclopropyl-N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891189
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171999040
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326572

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine (CID 126891315) is N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3nncc4ccoc34)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
The InChIKey is DTUNMHBGJLRYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-26-17-10-16(20-12-21-17)25(14-2-3-14)15-4-7-24(8-5-15)19-18-13(6-9-27-18)11-22-23-19/h6,9-12,14-15H,2-5,7-8H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126891315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).