N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C19H26N6 — CID 46984746

IUPACN-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cccn1-c1ncccn1)C(C)C
InChIInChI=1S/C19H26N6/c1-14(2)24(13-18-15(3)22-23(5)16(18)4)12-17-8-6-11-25(17)19-20-9-7-10-21-19/h6-11,14H,12-13H2,1-5H3
InChIKeyFDZORFNJERNCMO-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.03
Rot. Bonds6

About N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 46984746) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID46984746
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cccn1-c1ncccn1)C(C)C
InChIInChI=1S/C19H26N6/c1-14(2)24(13-18-15(3)22-23(5)16(18)4)12-17-8-6-11-25(17)19-20-9-7-10-21-19/h6-11,14H,12-13H2,1-5H3
InChIKeyFDZORFNJERNCMO-UHFFFAOYSA-N
XLogP3.03
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 46984746) is N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1CN(Cc1cccn1-c1ncccn1)C(C)C.
What is the InChIKey of N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is FDZORFNJERNCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-14(2)24(13-18-15(3)22-23(5)16(18)4)12-17-8-6-11-25(17)19-20-9-7-10-21-19/h6-11,14H,12-13H2,1-5H3.
What are the key properties of N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 338.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 46984746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).