6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine

C14H19ClN6 — CID 114701549

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2ccncc2C)n1
InChIInChI=1S/C14H19ClN6/c1-4-21(5-2)14-19-12(15)18-13(20-14)17-9-11-6-7-16-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,18,19,20)
InChIKeyBUMVTOKAAFCRSO-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.69
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 114701549) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID114701549
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2ccncc2C)n1
InChIInChI=1S/C14H19ClN6/c1-4-21(5-2)14-19-12(15)18-13(20-14)17-9-11-6-7-16-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,18,19,20)
InChIKeyBUMVTOKAAFCRSO-UHFFFAOYSA-N
XLogP2.69
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106193353
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194409
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713
2-N,2-N-dimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133495534
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863803
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760160
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine (CID 114701549) is 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCc2ccncc2C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BUMVTOKAAFCRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-4-21(5-2)14-19-12(15)18-13(20-14)17-9-11-6-7-16-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 306.80 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114701549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).