N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine

C24H25N5O2 — CID 25122144

IUPACN-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3cc(C)c(-c4ccnc(NCC5CC5)n4)n3n2)cc1OC
InChIInChI=1S/C24H25N5O2/c1-15-12-18-7-8-19(17-6-9-21(30-2)22(13-17)31-3)28-29(18)23(15)20-10-11-25-24(27-20)26-14-16-4-5-16/h6-13,16H,4-5,14H2,1-3H3,(H,25,26,27)
InChIKeyAKINHNXLEJGWMM-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.61
Rot. Bonds7

About N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine

N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine (PubChem CID 25122144) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine
PubChem CID25122144
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3cc(C)c(-c4ccnc(NCC5CC5)n4)n3n2)cc1OC
InChIInChI=1S/C24H25N5O2/c1-15-12-18-7-8-19(17-6-9-21(30-2)22(13-17)31-3)28-29(18)23(15)20-10-11-25-24(27-20)26-14-16-4-5-16/h6-13,16H,4-5,14H2,1-3H3,(H,25,26,27)
InChIKeyAKINHNXLEJGWMM-UHFFFAOYSA-N
XLogP4.61
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine (CID 25122144) is N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine is COc1ccc(-c2ccc3cc(C)c(-c4ccnc(NCC5CC5)n4)n3n2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine?
The InChIKey is AKINHNXLEJGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-12-18-7-8-19(17-6-9-21(30-2)22(13-17)31-3)28-29(18)23(15)20-10-11-25-24(27-20)26-14-16-4-5-16/h6-13,16H,4-5,14H2,1-3H3,(H,25,26,27).
What are the key properties of N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine?
N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[2-(3,4-dimethoxyphenyl)-6-methylpyrrolo[1,2-b]pyridazin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 25122144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).