6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine

C13H18N6 — CID 115263939

IUPAC6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESCNCCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C13H18N6/c1-14-6-4-8-16-12-9-13(18-10-17-12)19-11-5-2-3-7-15-11/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H2,15,16,17,18,19)
InChIKeyKCEIWMHMFFKCDK-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.64
Rot. Bonds7

About 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine

6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 115263939) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID115263939
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESCNCCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C13H18N6/c1-14-6-4-8-16-12-9-13(18-10-17-12)19-11-5-2-3-7-15-11/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H2,15,16,17,18,19)
InChIKeyKCEIWMHMFFKCDK-UHFFFAOYSA-N
XLogP1.64
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264794
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 122314104
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 71800128
1-(4-methoxy-2-methylphenyl)-3-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 71800240
4-phenoxy-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122314206
3,5-difluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122314427
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]imidazole-4-sulfonamide
CID 122314441
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
N-butylpyridin-2-amine
CID 14322668

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine (CID 115263939) is 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine is CNCCCNc1cc(Nc2ccccn2)ncn1.
What is the InChIKey of 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is KCEIWMHMFFKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-14-6-4-8-16-12-9-13(18-10-17-12)19-11-5-2-3-7-15-11/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115263939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).