2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine

C9H18N6 — CID 27784

IUPAC2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C9H18N6/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H4,10,11,12,13,14,15)
InChIKeyYNLOWUSCXIJRCB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.09
Rot. Bonds4

About 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 27784) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID27784
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C9H18N6/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H4,10,11,12,13,14,15)
InChIKeyYNLOWUSCXIJRCB-UHFFFAOYSA-N
XLogP1.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-azido-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 21489094
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 141370170
6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
CID 57482779
2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 67989157
4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 134914237
6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
CID 135510207
6-(oxolan-2-ylmethoxy)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23009045
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 22996585

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 27784) is 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(N)nc(NC(C)C)n1.
What is the InChIKey of 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YNLOWUSCXIJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H4,10,11,12,13,14,15).
What are the key properties of 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 210.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 27784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).