N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine

C19H26N6 — CID 126918387

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C19H26N6/c1-19(2,3)15-7-8-17(23-22-15)25-11-14(12-25)24(4)16-9-10-20-18(21-16)13-5-6-13/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyRPVCWEPPHYZDRH-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 126918387) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID126918387
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C19H26N6/c1-19(2,3)15-7-8-17(23-22-15)25-11-14(12-25)24(4)16-9-10-20-18(21-16)13-5-6-13/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyRPVCWEPPHYZDRH-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 126918387) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is RPVCWEPPHYZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-19(2,3)15-7-8-17(23-22-15)25-11-14(12-25)24(4)16-9-10-20-18(21-16)13-5-6-13/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 126918387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).