1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide

C19H36Br2N4O — CID 12857672

IUPAC1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide
SMILESBr.Br.Cc1cc(C)nc(N(CCCN(C(C)C)C(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C19H34N4O.2BrH/c1-14(2)22(15(3)4)10-9-11-23(19(24)21(7)8)18-13-16(5)12-17(6)20-18;;/h12-15H,9-11H2,1-8H3;2*1H
InChIKeyWEVSSNLPEWXDTL-UHFFFAOYSA-N
MW496.33 g/mol
LogP4.85
Rot. Bonds7

About 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide

1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide (PubChem CID 12857672) has the molecular formula C19H36Br2N4O and a molecular weight of 496.33 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide
PubChem CID12857672
Molecular FormulaC19H36Br2N4O
Molecular Weight496.33 g/mol
Exact Mass494.13
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide
SMILESBr.Br.Cc1cc(C)nc(N(CCCN(C(C)C)C(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C19H34N4O.2BrH/c1-14(2)22(15(3)4)10-9-11-23(19(24)21(7)8)18-13-16(5)12-17(6)20-18;;/h12-15H,9-11H2,1-8H3;2*1H
InChIKeyWEVSSNLPEWXDTL-UHFFFAOYSA-N
XLogP4.85
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.33
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide (CID 12857672) is 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide is Br.Br.Cc1cc(C)nc(N(CCCN(C(C)C)C(C)C)C(=O)N(C)C)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide?
The InChIKey is WEVSSNLPEWXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O.2BrH/c1-14(2)22(15(3)4)10-9-11-23(19(24)21(7)8)18-13-16(5)12-17(6)20-18;;/h12-15H,9-11H2,1-8H3;2*1H.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide?
1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide has a molecular weight of 496.33 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-1-[3-[di(propan-2-yl)amino]propyl]-3,3-dimethylurea;dihydrobromide is sourced from PubChem (CID 12857672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).