N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine

C16H21N5 — CID 111478646

IUPACN,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
SMILESCN(C)c1cc(CNC2=NCCCN2)c2ccccc2n1
InChIInChI=1S/C16H21N5/c1-21(2)15-10-12(11-19-16-17-8-5-9-18-16)13-6-3-4-7-14(13)20-15/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyGJJDCOSUAMUXBC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.74
Rot. Bonds3

About N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine

N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine (PubChem CID 111478646) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
PubChem CID111478646
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
SMILESCN(C)c1cc(CNC2=NCCCN2)c2ccccc2n1
InChIInChI=1S/C16H21N5/c1-21(2)15-10-12(11-19-16-17-8-5-9-18-16)13-6-3-4-7-14(13)20-15/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyGJJDCOSUAMUXBC-UHFFFAOYSA-N
XLogP1.74
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine (CID 111478646) is N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine is CN(C)c1cc(CNC2=NCCCN2)c2ccccc2n1.
What is the InChIKey of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine?
The InChIKey is GJJDCOSUAMUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-21(2)15-10-12(11-19-16-17-8-5-9-18-16)13-6-3-4-7-14(13)20-15/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine?
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine is sourced from PubChem (CID 111478646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).