4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile

C10H16N6 — CID 644401

IUPAC4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile
SMILESCC(C)Nc1nc(C#N)nc(NC(C)C)n1
InChIInChI=1S/C10H16N6/c1-6(2)12-9-14-8(5-11)15-10(16-9)13-7(3)4/h6-7H,1-4H3,(H2,12,13,14,15,16)
InChIKeyMTXMMWMRQLLESX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.38
Rot. Bonds4

About 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile

4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile (PubChem CID 644401) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile
PubChem CID644401
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile
SMILESCC(C)Nc1nc(C#N)nc(NC(C)C)n1
InChIInChI=1S/C10H16N6/c1-6(2)12-9-14-8(5-11)15-10(16-9)13-7(3)4/h6-7H,1-4H3,(H2,12,13,14,15,16)
InChIKeyMTXMMWMRQLLESX-UHFFFAOYSA-N
XLogP1.38
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
Amino[4,6-bis(ethylamino)(1,3,5-triazin-2-yl)](methylethyl)carbonitrile
CID 826227
(4-Ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-methyl-cyanamide
CID 910908
Ethyl-(4-ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-cyanamide
CID 649911
[4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl]ethylcyanamide
CID 778511
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, 4-chloro-6-ethyl-N-(1-methylethyl)-
CID 3044737
Melamine, N2,N4,N6-triisopropyl-
CID 21623
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile (CID 644401) is 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile is CC(C)Nc1nc(C#N)nc(NC(C)C)n1.
What is the InChIKey of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is MTXMMWMRQLLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-6(2)12-9-14-8(5-11)15-10(16-9)13-7(3)4/h6-7H,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 644401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).