2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

C19H33N7O — CID 117094428

IUPAC2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC2CC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C19H33N7O/c1-3-24(4-2)18-21-17(20-15-5-6-15)22-19(23-18)26-9-7-16(8-10-26)25-11-13-27-14-12-25/h15-16H,3-14H2,1-2H3,(H,20,21,22,23)
InChIKeyTYUQVSMQKIEDJF-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.59
Rot. Bonds7

About 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 117094428) has the molecular formula C19H33N7O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID117094428
Molecular FormulaC19H33N7O
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC Name2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC2CC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C19H33N7O/c1-3-24(4-2)18-21-17(20-15-5-6-15)22-19(23-18)26-9-7-16(8-10-26)25-11-13-27-14-12-25/h15-16H,3-14H2,1-2H3,(H,20,21,22,23)
InChIKeyTYUQVSMQKIEDJF-UHFFFAOYSA-N
XLogP1.59
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3605435
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
Cambridge id 5354217
CID 779717
6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 71853074
2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 124848002
N-cyclopropyl-4,6-bis[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
CID 138022924
4,6-dimorpholin-4-yl-N-octadecyl-1,3,5-triazin-2-amine
CID 101603174
4-chloro-N-[2-(4-morpholinyl)ethyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 692002

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 117094428) is 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC2CC2)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TYUQVSMQKIEDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O/c1-3-24(4-2)18-21-17(20-15-5-6-15)22-19(23-18)26-9-7-16(8-10-26)25-11-13-27-14-12-25/h15-16H,3-14H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 375.52 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117094428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).