N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C19H23N7 — CID 126918000

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(N2CC(CNc3ncnc4ncccc34)C2)nn1
InChIInChI=1S/C19H23N7/c1-19(2,3)15-6-7-16(25-24-15)26-10-13(11-26)9-21-18-14-5-4-8-20-17(14)22-12-23-18/h4-8,12-13H,9-11H2,1-3H3,(H,20,21,22,23)
InChIKeyMEFXYEVDYUGMNU-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.66
Rot. Bonds4

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 126918000) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID126918000
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1ccc(N2CC(CNc3ncnc4ncccc34)C2)nn1
InChIInChI=1S/C19H23N7/c1-19(2,3)15-6-7-16(25-24-15)26-10-13(11-26)9-21-18-14-5-4-8-20-17(14)22-12-23-18/h4-8,12-13H,9-11H2,1-3H3,(H,20,21,22,23)
InChIKeyMEFXYEVDYUGMNU-UHFFFAOYSA-N
XLogP2.66
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 126918000) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine is CC(C)(C)c1ccc(N2CC(CNc3ncnc4ncccc34)C2)nn1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is MEFXYEVDYUGMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-19(2,3)15-6-7-16(25-24-15)26-10-13(11-26)9-21-18-14-5-4-8-20-17(14)22-12-23-18/h4-8,12-13H,9-11H2,1-3H3,(H,20,21,22,23).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126918000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).