N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine

C14H20N4 — CID 79097378

IUPACN,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(Cc2ncccn2)c1)C(C)C
InChIInChI=1S/C14H20N4/c1-11(2)14(15-3)12-5-8-18(9-12)10-13-16-6-4-7-17-13/h4-9,11,14-15H,10H2,1-3H3
InChIKeyMBFDCABQBSQHCF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.24
Rot. Bonds5

About N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine

N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79097378) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79097378
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(Cc2ncccn2)c1)C(C)C
InChIInChI=1S/C14H20N4/c1-11(2)14(15-3)12-5-8-18(9-12)10-13-16-6-4-7-17-13/h4-9,11,14-15H,10H2,1-3H3
InChIKeyMBFDCABQBSQHCF-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine (CID 79097378) is N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine is CNC(c1ccn(Cc2ncccn2)c1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is MBFDCABQBSQHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)14(15-3)12-5-8-18(9-12)10-13-16-6-4-7-17-13/h4-9,11,14-15H,10H2,1-3H3.
What are the key properties of N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).